3-bromo-4-methoxy-N-(6-oxopiperidin-3-yl)benzamide

C13H15BrN2O3 — CID 62492298

IUPAC3-bromo-4-methoxy-N-(6-oxopiperidin-3-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CCC(=O)NC2)cc1Br
InChIInChI=1S/C13H15BrN2O3/c1-19-11-4-2-8(6-10(11)14)13(18)16-9-3-5-12(17)15-7-9/h2,4,6,9H,3,5,7H2,1H3,(H,15,17)(H,16,18)
InChIKeyPJLYAPVCIVZRFO-UHFFFAOYSA-N
MW327.18 g/mol
LogP1.47
Rot. Bonds3

About 3-bromo-4-methoxy-N-(6-oxopiperidin-3-yl)benzamide

3-bromo-4-methoxy-N-(6-oxopiperidin-3-yl)benzamide (PubChem CID 62492298) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-(6-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-(6-oxopiperidin-3-yl)benzamide
PubChem CID62492298
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Name3-bromo-4-methoxy-N-(6-oxopiperidin-3-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CCC(=O)NC2)cc1Br
InChIInChI=1S/C13H15BrN2O3/c1-19-11-4-2-8(6-10(11)14)13(18)16-9-3-5-12(17)15-7-9/h2,4,6,9H,3,5,7H2,1H3,(H,15,17)(H,16,18)
InChIKeyPJLYAPVCIVZRFO-UHFFFAOYSA-N
XLogP1.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-bromo-4-methoxy-N-(6-oxopiperidin-3-yl)benzamide 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-amino-4-methoxy-N-(6-oxopiperidin-3-yl)benzamide
CID 55246056
5-amino-2-methoxy-N-(6-oxopiperidin-3-yl)benzamide
CID 55245873
3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 63662752
3-bromo-4-methoxy-N-(1-oxothian-4-yl)benzamide
CID 113429210
4-chloro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 113256480
3-bromo-N-(2,2-dimethyloxan-4-yl)-4-methoxybenzamide
CID 115563924
3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 62491778
3-cyclopentyloxy-4-methoxy-N-[(3S)-5-oxopyrrolidin-3-yl]benzamide
CID 10313807
3-[(3-bromo-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044376
3-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid
CID 63662325
4-hydrazinyl-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 63662542
3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide
CID 81434409

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-(6-oxopiperidin-3-yl)benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-(6-oxopiperidin-3-yl)benzamide (CID 62492298) is 3-bromo-4-methoxy-N-(6-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-(6-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-(6-oxopiperidin-3-yl)benzamide is COc1ccc(C(=O)NC2CCC(=O)NC2)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-(6-oxopiperidin-3-yl)benzamide?
The InChIKey is PJLYAPVCIVZRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c1-19-11-4-2-8(6-10(11)14)13(18)16-9-3-5-12(17)15-7-9/h2,4,6,9H,3,5,7H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 3-bromo-4-methoxy-N-(6-oxopiperidin-3-yl)benzamide?
3-bromo-4-methoxy-N-(6-oxopiperidin-3-yl)benzamide has a molecular weight of 327.18 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-(6-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 62492298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).