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

C17H18ClN3O2 — CID 110735981

IUPAC5-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-1H-pyridin-2-one
SMILESO=C(Cc1cccc(Cl)c1)N1CCN(c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C17H18ClN3O2/c18-14-3-1-2-13(10-14)11-17(23)21-8-6-20(7-9-21)15-4-5-16(22)19-12-15/h1-5,10,12H,6-9,11H2,(H,19,22)
InChIKeyMDZZMKLWWCTKGR-UHFFFAOYSA-N
MW331.80 g/mol
LogP1.92
Rot. Bonds3

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

5-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-1H-pyridin-2-one (PubChem CID 110735981) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 5-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-1H-pyridin-2-one
PubChem CID110735981
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name5-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-1H-pyridin-2-one
SMILESO=C(Cc1cccc(Cl)c1)N1CCN(c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C17H18ClN3O2/c18-14-3-1-2-13(10-14)11-17(23)21-8-6-20(7-9-21)15-4-5-16(22)19-12-15/h1-5,10,12H,6-9,11H2,(H,19,22)
InChIKeyMDZZMKLWWCTKGR-UHFFFAOYSA-N
XLogP1.92
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridin-2-one
CID 110735976
5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-pyridin-2-one
CID 110735948
2-(3-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 113076678
4-[2-(3-chlorophenyl)acetyl]piperazine-1-sulfonamide
CID 62505497
2-(3-chlorophenyl)-1-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110809768
4-[2-(3-chlorophenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708429
4-benzyl-1-[2-(3-chlorophenyl)acetyl]-1,4-diazepan-5-one
CID 42366762
2-(3-chlorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
CID 95759114
2-(3-chlorophenyl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
CID 95759115
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 1108344
N-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 16881599
2-[(3-chlorophenyl)methylsulfanyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 55345654

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-1H-pyridin-2-one (CID 110735981) is 5-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-1H-pyridin-2-one is O=C(Cc1cccc(Cl)c1)N1CCN(c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 5-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-1H-pyridin-2-one?
The InChIKey is MDZZMKLWWCTKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-14-3-1-2-13(10-14)11-17(23)21-8-6-20(7-9-21)15-4-5-16(22)19-12-15/h1-5,10,12H,6-9,11H2,(H,19,22).
What are the key properties of 5-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-1H-pyridin-2-one?
5-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-1H-pyridin-2-one has a molecular weight of 331.80 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 110735981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).