N-(5-bromo-2-methoxyphenyl)piperidine-4-carboxamide

C13H17BrN2O2 — CID 54967697

IUPACN-(5-bromo-2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(Br)cc1NC(=O)C1CCNCC1
InChIInChI=1S/C13H17BrN2O2/c1-18-12-3-2-10(14)8-11(12)16-13(17)9-4-6-15-7-5-9/h2-3,8-9,15H,4-7H2,1H3,(H,16,17)
InChIKeyCRJBZRLTPRLROY-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.40
Rot. Bonds3

About N-(5-bromo-2-methoxyphenyl)piperidine-4-carboxamide

N-(5-bromo-2-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 54967697) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)piperidine-4-carboxamide
PubChem CID54967697
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC NameN-(5-bromo-2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(Br)cc1NC(=O)C1CCNCC1
InChIInChI=1S/C13H17BrN2O2/c1-18-12-3-2-10(14)8-11(12)16-13(17)9-4-6-15-7-5-9/h2-3,8-9,15H,4-7H2,1H3,(H,16,17)
InChIKeyCRJBZRLTPRLROY-UHFFFAOYSA-N
XLogP2.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63006028
N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide
CID 65018183
(3S)-N-(5-bromo-2-methoxyphenyl)piperidine-3-carboxamide
CID 81140921
N-(5-bromo-2-ethoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119300666
(2S,4S)-N-(5-bromo-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623124
N-(5-bromo-2-methoxyphenyl)oxolane-3-carboxamide
CID 47494478
N-(5-bromo-2-methoxyphenyl)-3-piperidin-4-ylpropanamide
CID 62210447
N-(2-acetamido-5-bromophenyl)piperidine-4-carboxamide;hydrochloride
CID 119308213
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119307348
N-(5-bromo-2-methoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119729353
N-(2-methoxy-4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119298753
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119866736

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)piperidine-4-carboxamide (CID 54967697) is N-(5-bromo-2-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)piperidine-4-carboxamide is COc1ccc(Br)cc1NC(=O)C1CCNCC1.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is CRJBZRLTPRLROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-18-12-3-2-10(14)8-11(12)16-13(17)9-4-6-15-7-5-9/h2-3,8-9,15H,4-7H2,1H3,(H,16,17).
What are the key properties of N-(5-bromo-2-methoxyphenyl)piperidine-4-carboxamide?
N-(5-bromo-2-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 313.19 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 54967697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).