5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-pyridin-2-one

C16H16ClN3O2 — CID 110735948

IUPAC5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-pyridin-2-one
SMILESO=C(c1cccc(Cl)c1)N1CCN(c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C16H16ClN3O2/c17-13-3-1-2-12(10-13)16(22)20-8-6-19(7-9-20)14-4-5-15(21)18-11-14/h1-5,10-11H,6-9H2,(H,18,21)
InChIKeyPVPOHOQAVUFJMO-UHFFFAOYSA-N
MW317.78 g/mol
LogP1.99
Rot. Bonds2

About 5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-pyridin-2-one

5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-pyridin-2-one (PubChem CID 110735948) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-pyridin-2-one
PubChem CID110735948
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-pyridin-2-one
SMILESO=C(c1cccc(Cl)c1)N1CCN(c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C16H16ClN3O2/c17-13-3-1-2-12(10-13)16(22)20-8-6-19(7-9-20)14-4-5-15(21)18-11-14/h1-5,10-11H,6-9H2,(H,18,21)
InChIKeyPVPOHOQAVUFJMO-UHFFFAOYSA-N
XLogP1.99
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-benzoylpiperazin-1-yl)-1H-pyridin-2-one
CID 110735921
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
5-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-1H-pyridin-2-one
CID 110735981
6-[4-(3-chlorobenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 13236324
[4-(4-bromo-3-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 113079578
5-(4-phenylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 4826168
5-[4-(2-methylbenzoyl)piperazin-1-yl]-1H-pyridin-2-one
CID 110735922
N-[3-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 113078232
3-[4-(6-oxo-1H-pyridin-3-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110745900
[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 113076730
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 4558593
(3-chlorophenyl)-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808412

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-pyridin-2-one (CID 110735948) is 5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-pyridin-2-one is O=C(c1cccc(Cl)c1)N1CCN(c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-pyridin-2-one?
The InChIKey is PVPOHOQAVUFJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c17-13-3-1-2-12(10-13)16(22)20-8-6-19(7-9-20)14-4-5-15(21)18-11-14/h1-5,10-11H,6-9H2,(H,18,21).
What are the key properties of 5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-pyridin-2-one?
5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-pyridin-2-one has a molecular weight of 317.78 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 110735948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).