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

C15H17BrN2O2 — CID 76976877

IUPAC3-(2-bromo-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)NC2CCC(=O)NC2)c(Br)c1
InChIInChI=1S/C15H17BrN2O2/c1-10-2-3-11(13(16)8-10)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)
InChIKeyZRHXSLMLEQVSDQ-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.17
Rot. Bonds3

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

3-(2-bromo-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide (PubChem CID 76976877) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 3-(2-bromo-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(2-bromo-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide
PubChem CID76976877
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name3-(2-bromo-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)NC2CCC(=O)NC2)c(Br)c1
InChIInChI=1S/C15H17BrN2O2/c1-10-2-3-11(13(16)8-10)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)
InChIKeyZRHXSLMLEQVSDQ-UHFFFAOYSA-N
XLogP2.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

3-(5-bromothiophen-2-yl)-N-(6-oxopiperidin-3-yl)prop-2-enamide
CID 76944857
3-(3-chloro-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide
CID 76976919
3-(3,5-dichlorophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide
CID 76976955
3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 62491778
3-(2-nitrophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide
CID 76944811
N-(6-oxopiperidin-3-yl)-3-pyridin-3-ylprop-2-enamide
CID 76976653
3-methyl-N-[2-oxo-2-[(6-oxopiperidin-3-yl)amino]ethyl]benzamide
CID 63373773
N'-(4-methylphenyl)-N-(6-oxopiperidin-3-yl)oxamide
CID 62734491
4-(3-methylphenoxy)-N-(6-oxopiperidin-3-yl)butanamide
CID 62490445
(6-oxopiperidin-3-yl)carbamic acid
CID 77299994
3-amino-5-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide
CID 107932373
3-(2,4-dimethylphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
CID 77109928

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide?
The IUPAC name of 3-(2-bromo-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide (CID 76976877) is 3-(2-bromo-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide.
What is the SMILES notation for 3-(2-bromo-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide?
The canonical SMILES for 3-(2-bromo-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide is Cc1ccc(C=CC(=O)NC2CCC(=O)NC2)c(Br)c1.
What is the InChIKey of 3-(2-bromo-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide?
The InChIKey is ZRHXSLMLEQVSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-10-2-3-11(13(16)8-10)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-(2-bromo-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide?
3-(2-bromo-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide has a molecular weight of 337.22 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide is sourced from PubChem (CID 76976877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).