5-(1-benzylpyrazol-4-yl)-1-methyl-4-(6-oxopiperidin-3-yl)pyridin-2-one

C21H22N4O2 — CID 155295437

IUPAC5-(1-benzylpyrazol-4-yl)-1-methyl-4-(6-oxopiperidin-3-yl)pyridin-2-one
SMILESCn1cc(-c2cnn(Cc3ccccc3)c2)c(C2CCC(=O)NC2)cc1=O
InChIInChI=1S/C21H22N4O2/c1-24-14-19(18(9-21(24)27)16-7-8-20(26)22-10-16)17-11-23-25(13-17)12-15-5-3-2-4-6-15/h2-6,9,11,13-14,16H,7-8,10,12H2,1H3,(H,22,26)
InChIKeyYYGDPNOMUFWKAQ-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.29
Rot. Bonds4

About 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(6-oxopiperidin-3-yl)pyridin-2-one

5-(1-benzylpyrazol-4-yl)-1-methyl-4-(6-oxopiperidin-3-yl)pyridin-2-one (PubChem CID 155295437) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(6-oxopiperidin-3-yl)pyridin-2-one.

Molecular Properties

Compound Name5-(1-benzylpyrazol-4-yl)-1-methyl-4-(6-oxopiperidin-3-yl)pyridin-2-one
PubChem CID155295437
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name5-(1-benzylpyrazol-4-yl)-1-methyl-4-(6-oxopiperidin-3-yl)pyridin-2-one
SMILESCn1cc(-c2cnn(Cc3ccccc3)c2)c(C2CCC(=O)NC2)cc1=O
InChIInChI=1S/C21H22N4O2/c1-24-14-19(18(9-21(24)27)16-7-8-20(26)22-10-16)17-11-23-25(13-17)12-15-5-3-2-4-6-15/h2-6,9,11,13-14,16H,7-8,10,12H2,1H3,(H,22,26)
InChIKeyYYGDPNOMUFWKAQ-UHFFFAOYSA-N
XLogP2.29
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(6-oxopiperidin-3-yl)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

N-(4-fluorophenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24819297
3-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-isobutylbenzamide
CID 3238106
1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-[4-(1-methylpyrazol-4-yl)phenyl]ethane-1,2-dione
CID 44191530
N-[[4-(aminomethyl)phenyl]methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 90280145
N-hydroxy-5-[1-[(3-phenylphenyl)methyl]pyrazol-4-yl]pentanamide
CID 118714367
N-(2-fluorobenzyl)-3-{1-[3-(5-methyl-1H-pyrazol-1-yl)propanoyl]-3-piperidinyl}propanamide
CID 16190899
N-(3,4-difluorobenzyl)-3-{1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]piperidin-3-yl}propanamide
CID 16191462
N-({1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methyl)-4-fluorobenzamide
CID 16191911
2-[3-(1-Methylpyrazol-4-yl)propanoyl]-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one
CID 24772069
N-(4-isopropylphenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24793068
N-ethyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]-3-piperidinecarboxamide
CID 24816994
N-[4-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 24817692

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(6-oxopiperidin-3-yl)pyridin-2-one?
The IUPAC name of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(6-oxopiperidin-3-yl)pyridin-2-one (CID 155295437) is 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(6-oxopiperidin-3-yl)pyridin-2-one.
What is the SMILES notation for 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(6-oxopiperidin-3-yl)pyridin-2-one?
The canonical SMILES for 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(6-oxopiperidin-3-yl)pyridin-2-one is Cn1cc(-c2cnn(Cc3ccccc3)c2)c(C2CCC(=O)NC2)cc1=O.
What is the InChIKey of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(6-oxopiperidin-3-yl)pyridin-2-one?
The InChIKey is YYGDPNOMUFWKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-24-14-19(18(9-21(24)27)16-7-8-20(26)22-10-16)17-11-23-25(13-17)12-15-5-3-2-4-6-15/h2-6,9,11,13-14,16H,7-8,10,12H2,1H3,(H,22,26).
What are the key properties of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(6-oxopiperidin-3-yl)pyridin-2-one?
5-(1-benzylpyrazol-4-yl)-1-methyl-4-(6-oxopiperidin-3-yl)pyridin-2-one has a molecular weight of 362.43 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(6-oxopiperidin-3-yl)pyridin-2-one is sourced from PubChem (CID 155295437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).