N-(3-bromo-5-methylphenyl)-6-oxopiperidine-3-carboxamide

C13H15BrN2O2 — CID 104938577

IUPACN-(3-bromo-5-methylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCc1cc(Br)cc(NC(=O)C2CCC(=O)NC2)c1
InChIInChI=1S/C13H15BrN2O2/c1-8-4-10(14)6-11(5-8)16-13(18)9-2-3-12(17)15-7-9/h4-6,9H,2-3,7H2,1H3,(H,15,17)(H,16,18)
InChIKeyUGBVYEYAKHKXRL-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.22
Rot. Bonds2

About N-(3-bromo-5-methylphenyl)-6-oxopiperidine-3-carboxamide

N-(3-bromo-5-methylphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 104938577) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID104938577
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC NameN-(3-bromo-5-methylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCc1cc(Br)cc(NC(=O)C2CCC(=O)NC2)c1
InChIInChI=1S/C13H15BrN2O2/c1-8-4-10(14)6-11(5-8)16-13(18)9-2-3-12(17)15-7-9/h4-6,9H,2-3,7H2,1H3,(H,15,17)(H,16,18)
InChIKeyUGBVYEYAKHKXRL-UHFFFAOYSA-N
XLogP2.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 104938731
N-(3-bromo-5-methylphenyl)cyclopentanecarboxamide
CID 110604732
(3S)-N-(3,5-dichloro-4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 95279970
N-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 78272138
N-(3,4-difluorophenyl)-6-oxopiperidine-3-carboxamide
CID 78594911
1-acetyl-N-(3-bromo-5-methylphenyl)piperidine-4-carboxamide
CID 110671730
N-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide
CID 112728864
N-(4-methyl-3-nitrophenyl)-6-oxopiperidine-3-carboxamide
CID 74570841
3-[(3-bromo-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107577284
N-(4-hydroxy-2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 79040523
N-[4-(dimethylcarbamoyl)phenyl]-6-oxopiperidine-3-carboxamide
CID 112729111
N-[3-chloro-5-(trifluoromethyl)phenyl]-6-oxopiperidine-3-carboxamide
CID 116700756

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-6-oxopiperidine-3-carboxamide (CID 104938577) is N-(3-bromo-5-methylphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-6-oxopiperidine-3-carboxamide is Cc1cc(Br)cc(NC(=O)C2CCC(=O)NC2)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is UGBVYEYAKHKXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-8-4-10(14)6-11(5-8)16-13(18)9-2-3-12(17)15-7-9/h4-6,9H,2-3,7H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(3-bromo-5-methylphenyl)-6-oxopiperidine-3-carboxamide?
N-(3-bromo-5-methylphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 311.18 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 104938577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).