3-(3-chloro-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide

C15H17ClN2O2 — CID 76976919

IUPAC3-(3-chloro-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)NC2CCC(=O)NC2)cc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-10-2-3-11(8-13(10)16)4-6-15(20)18-12-5-7-14(19)17-9-12/h2-4,6,8,12H,5,7,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyXBWKXOMXTJGXDZ-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.06
Rot. Bonds3

About 3-(3-chloro-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide

3-(3-chloro-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide (PubChem CID 76976919) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide
PubChem CID76976919
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name3-(3-chloro-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)NC2CCC(=O)NC2)cc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-10-2-3-11(8-13(10)16)4-6-15(20)18-12-5-7-14(19)17-9-12/h2-4,6,8,12H,5,7,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyXBWKXOMXTJGXDZ-UHFFFAOYSA-N
XLogP2.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-dichlorophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide
CID 76976955
3-(2-bromo-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide
CID 76976877
N-(6-oxopiperidin-3-yl)-3-pyridin-3-ylprop-2-enamide
CID 76976653
3,6-dimethyl-2-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid
CID 103429074
4-chloro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 113256480
(Z)-3-(3-chloro-4-methylphenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]prop-2-enamide
CID 97456591
3-(5-bromothiophen-2-yl)-N-(6-oxopiperidin-3-yl)prop-2-enamide
CID 76944857
2,6-dichloro-N-(6-oxopiperidin-3-yl)benzamide
CID 55246624
3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 62491778
3-(3-chloro-4-methylphenyl)-N-ethylprop-2-enamide
CID 73014365
2-methyl-N-[(3R)-6-oxopiperidin-3-yl]benzamide
CID 70955192
3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 63662752

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide (CID 76976919) is 3-(3-chloro-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide is Cc1ccc(C=CC(=O)NC2CCC(=O)NC2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide?
The InChIKey is XBWKXOMXTJGXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-10-2-3-11(8-13(10)16)4-6-15(20)18-12-5-7-14(19)17-9-12/h2-4,6,8,12H,5,7,9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 3-(3-chloro-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide?
3-(3-chloro-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide has a molecular weight of 292.77 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide is sourced from PubChem (CID 76976919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).