Details of the Drug Metabolite (DM)

General Information of Drug Metabolite (DM) (ID: DM016852)
DM Name
1-[4-[4-(5-Hydroxypyrimidin-2-yl)piperazin-1-yl]butyl]-4,4-dimethylpiperidine-2,6-dione
Synonyms NULL
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 1901.5 Topological Polar Surface Area 368
Heavy Atom Count 137 Rotatable Bond Count 35
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 32
PubChem CID
161195822
Complexity
2520
Formula
C100H154FN25O11
Canonical SMILES
CCCC1(CC(=O)N(C(=O)C1)CCCCN2CCN(CC2)C3=NC=CC=N3)C.CCC1(CC(=O)N(C(=O)C1)CCCCN2CCN(CC2)C3=NC=CC=N3)C.CCC1(CC(=O)N(C(=O)C1)CCCCN2CCN(CC2)C3=NC=CC=N3)CC.CC1(CC(=O)N(C(=O)C1)CCCCN2CCN(CC2)C3=NC=C(C=N3)O)C.CC1(CC(=O)N(C(=O)C1)CCCCN2CCN(CC2)C3=NC=C(C=N3)F)C
InChI
InChI=1S/2C21H33N5O2.C20H31N5O2.C19H28FN5O2.C19H29N5O3/c1-3-7-21(2)16-18(27)26(19(28)17-21)11-5-4-10-24-12-14-25(15-13-24)20-22-8-6-9-23-20;1-3-21(4-2)16-18(27)26(19(28)17-21)11-6-5-10-24-12-14-25(15-13-24)20-22-8-7-9-23-20;1-3-20(2)15-17(26)25(18(27)16-20)10-5-4-9-23-11-13-24(14-12-23)19-21-7-6-8-22-19;1-19(2)11-16(26)25(17(27)12-19)6-4-3-5-23-7-9-24(10-8-23)18-21-13-15(20)14-22-18;1-19(2)11-16(26)24(17(27)12-19)6-4-3-5-22-7-9-23(10-8-22)18-20-13-15(25)14-21-18/h6,8-9H,3-5,7,10-17H2,1-2H3;7-9H,3-6,10-17H2,1-2H3;6-8H,3-5,9-16H2,1-2H3;13-14H,3-12H2,1-2H3;13-14,25H,3-12H2,1-2H3
InChIKey
UUIFHIABHWWURK-UHFFFAOYSA-N
IUPAC name
4,4-diethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione;4-ethyl-4-methyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione;1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-4,4-dimethylpiperidine-2,6-dione;1-[4-[4-(5-hydroxypyrimidin-2-yl)piperazin-1-yl]butyl]-4,4-dimethylpiperidine-2,6-dione;4-methyl-4-propyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione
Full List of Drug(s) That Produce This DM By Metabolism
Gepirone DR3227 Phase 2 Depression

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