4-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-1-[(4-methylphenyl)methyl]piperazin-2-one

C18H18ClN3O3 — CID 70725599

IUPAC4-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-1-[(4-methylphenyl)methyl]piperazin-2-one
SMILESCc1ccc(CN2CCN(C(=O)c3c[nH]c(=O)c(Cl)c3)CC2=O)cc1
InChIInChI=1S/C18H18ClN3O3/c1-12-2-4-13(5-3-12)10-21-6-7-22(11-16(21)23)18(25)14-8-15(19)17(24)20-9-14/h2-5,8-9H,6-7,10-11H2,1H3,(H,20,24)
InChIKeyJOLSFFJGMHOWHM-UHFFFAOYSA-N
MW359.81 g/mol
LogP1.82
Rot. Bonds3

About 4-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-1-[(4-methylphenyl)methyl]piperazin-2-one

4-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-1-[(4-methylphenyl)methyl]piperazin-2-one (PubChem CID 70725599) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is 4-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-1-[(4-methylphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-1-[(4-methylphenyl)methyl]piperazin-2-one
PubChem CID70725599
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Name4-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-1-[(4-methylphenyl)methyl]piperazin-2-one
SMILESCc1ccc(CN2CCN(C(=O)c3c[nH]c(=O)c(Cl)c3)CC2=O)cc1
InChIInChI=1S/C18H18ClN3O3/c1-12-2-4-13(5-3-12)10-21-6-7-22(11-16(21)23)18(25)14-8-15(19)17(24)20-9-14/h2-5,8-9H,6-7,10-11H2,1H3,(H,20,24)
InChIKeyJOLSFFJGMHOWHM-UHFFFAOYSA-N
XLogP1.82
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-1-[(4-methylphenyl)methyl]piperazin-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-(5-fluoropyridine-3-carbonyl)-1-[(4-methylphenyl)methyl]piperazin-2-one
CID 91837307
4-(1-tert-butylpyrrole-3-carbonyl)-1-[(4-methylphenyl)methyl]piperazin-2-one
CID 70706068
2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]pyridine-4-carboxamide
CID 72938937
2-[5-[4-[(4-fluorophenyl)methyl]-3-oxopiperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 20763769
3-chloro-5-(4-cyclopentylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 56816482
methyl N-[(2R)-1-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 96572112
1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one
CID 145164386
4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-1-[(4-methylphenyl)methyl]piperazin-2-one
CID 70745152
1-[(4-methoxyphenyl)methyl]-4-(4-propylbenzoyl)piperazin-2-one
CID 70767558
1-[(4-methylphenyl)methyl]-4-[2-(2,3,4-trifluorophenyl)acetyl]piperazin-2-one
CID 70733594
1-[(3,5-dimethylphenyl)methyl]-4-(1-methylpyrazole-3-carbonyl)piperazin-2-one
CID 70788477
3-chloro-5-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 124939624

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-1-[(4-methylphenyl)methyl]piperazin-2-one?
The IUPAC name of 4-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-1-[(4-methylphenyl)methyl]piperazin-2-one (CID 70725599) is 4-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-1-[(4-methylphenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-1-[(4-methylphenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-1-[(4-methylphenyl)methyl]piperazin-2-one is Cc1ccc(CN2CCN(C(=O)c3c[nH]c(=O)c(Cl)c3)CC2=O)cc1.
What is the InChIKey of 4-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-1-[(4-methylphenyl)methyl]piperazin-2-one?
The InChIKey is JOLSFFJGMHOWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-12-2-4-13(5-3-12)10-21-6-7-22(11-16(21)23)18(25)14-8-15(19)17(24)20-9-14/h2-5,8-9H,6-7,10-11H2,1H3,(H,20,24).
What are the key properties of 4-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-1-[(4-methylphenyl)methyl]piperazin-2-one?
4-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-1-[(4-methylphenyl)methyl]piperazin-2-one has a molecular weight of 359.81 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-1-[(4-methylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 70725599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).