4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-pyridin-3-ylpyrrolidin-3-one

C20H21ClN4O2 — CID 143256082

IUPAC4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-pyridin-3-ylpyrrolidin-3-one
SMILESO=C1CN(c2cccnc2)CC1N1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H21ClN4O2/c21-16-5-3-15(4-6-16)20(27)24-10-8-23(9-11-24)18-13-25(14-19(18)26)17-2-1-7-22-12-17/h1-7,12,18H,8-11,13-14H2
InChIKeyFHLMMLJFIOQJDO-UHFFFAOYSA-N
MW384.87 g/mol
LogP1.95
Rot. Bonds3

About 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-pyridin-3-ylpyrrolidin-3-one

4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-pyridin-3-ylpyrrolidin-3-one (PubChem CID 143256082) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-pyridin-3-ylpyrrolidin-3-one.

Molecular Properties

Compound Name4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-pyridin-3-ylpyrrolidin-3-one
PubChem CID143256082
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-pyridin-3-ylpyrrolidin-3-one
SMILESO=C1CN(c2cccnc2)CC1N1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H21ClN4O2/c21-16-5-3-15(4-6-16)20(27)24-10-8-23(9-11-24)18-13-25(14-19(18)26)17-2-1-7-22-12-17/h1-7,12,18H,8-11,13-14H2
InChIKeyFHLMMLJFIOQJDO-UHFFFAOYSA-N
XLogP1.95
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chlorophenyl)-[4-(1-pyrazin-2-ylpyrrolidin-3-yl)piperazin-1-yl]methanone
CID 143256088
(4-chlorophenyl)-[4-[1-(4-chlorophenyl)-4-hydroxypyrrolidin-3-yl]piperazin-1-yl]methanone
CID 66968652
2-(4-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131641884
1H-pyrazol-4-yl-(4-pyridin-3-ylpiperazin-1-yl)methanone
CID 77082727
4-chloro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide
CID 91624801
3-[4-(4-chlorobenzoyl)piperazin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 139008558
(3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 39565978
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 136573282
(4-chlorophenyl)-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone
CID 122132459
3-(4-chlorophenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 110422121
(8aS)-2-phenyl-7-(pyridine-3-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 7673948
(4-chlorophenyl)-[4-[(3R,4R)-1-[5-(4-chlorophenyl)pyrimidin-2-yl]-4-hydroxypyrrolidin-3-yl]piperazin-1-yl]methanone
CID 58451050

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-pyridin-3-ylpyrrolidin-3-one?
The IUPAC name of 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-pyridin-3-ylpyrrolidin-3-one (CID 143256082) is 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-pyridin-3-ylpyrrolidin-3-one.
What is the SMILES notation for 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-pyridin-3-ylpyrrolidin-3-one?
The canonical SMILES for 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-pyridin-3-ylpyrrolidin-3-one is O=C1CN(c2cccnc2)CC1N1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-pyridin-3-ylpyrrolidin-3-one?
The InChIKey is FHLMMLJFIOQJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c21-16-5-3-15(4-6-16)20(27)24-10-8-23(9-11-24)18-13-25(14-19(18)26)17-2-1-7-22-12-17/h1-7,12,18H,8-11,13-14H2.
What are the key properties of 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-pyridin-3-ylpyrrolidin-3-one?
4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-pyridin-3-ylpyrrolidin-3-one has a molecular weight of 384.87 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-pyridin-3-ylpyrrolidin-3-one is sourced from PubChem (CID 143256082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).