4-(4-benzylpiperazine-1-carbonyl)-1H-pyridin-2-one

C17H19N3O2 — CID 110600792

IUPAC4-(4-benzylpiperazine-1-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1cc[nH]c(=O)c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H19N3O2/c21-16-12-15(6-7-18-16)17(22)20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,18,21)
InChIKeyAFWJLLRUEIVUKC-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.33
Rot. Bonds3

About 4-(4-benzylpiperazine-1-carbonyl)-1H-pyridin-2-one

4-(4-benzylpiperazine-1-carbonyl)-1H-pyridin-2-one (PubChem CID 110600792) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-(4-benzylpiperazine-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(4-benzylpiperazine-1-carbonyl)-1H-pyridin-2-one
PubChem CID110600792
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name4-(4-benzylpiperazine-1-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1cc[nH]c(=O)c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H19N3O2/c21-16-12-15(6-7-18-16)17(22)20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,18,21)
InChIKeyAFWJLLRUEIVUKC-UHFFFAOYSA-N
XLogP1.33
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-benzylpiperazine-1-carbonyl)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 146084829
4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 103763565
5-(4-benzylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692320
(3-aminophenyl)-(4-benzylpiperazin-1-yl)methanone;dihydrochloride
CID 119826758
(10R,11S)-3-benzyl-10,11-dihydroxy-14-(2-oxo-1H-pyridine-4-carbonyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
CID 171688509
N-ethyl-4-(2-oxo-1H-pyridine-4-carbonyl)piperazine-1-carboxamide
CID 103762745
1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 113264935
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
(4-benzyl-1,4-diazepan-1-yl)-(3,4-dichlorophenyl)methanone
CID 23969197
(4-benzylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 17462290
1,3-benzodioxol-5-yl-(4-benzylpiperazin-1-yl)methanone
CID 803605
4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 103763407

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazine-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 4-(4-benzylpiperazine-1-carbonyl)-1H-pyridin-2-one (CID 110600792) is 4-(4-benzylpiperazine-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(4-benzylpiperazine-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(4-benzylpiperazine-1-carbonyl)-1H-pyridin-2-one is O=C(c1cc[nH]c(=O)c1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-(4-benzylpiperazine-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is AFWJLLRUEIVUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-16-12-15(6-7-18-16)17(22)20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,18,21).
What are the key properties of 4-(4-benzylpiperazine-1-carbonyl)-1H-pyridin-2-one?
4-(4-benzylpiperazine-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 297.36 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazine-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 110600792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).