N-(3-bromophenyl)piperidine-2-carboxamide

C12H15BrN2O — CID 18073202

IUPACN-(3-bromophenyl)piperidine-2-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CCCCN1
InChIInChI=1S/C12H15BrN2O/c13-9-4-3-5-10(8-9)15-12(16)11-6-1-2-7-14-11/h3-5,8,11,14H,1-2,6-7H2,(H,15,16)
InChIKeyPTNPAQJWLAGXDU-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.53
Rot. Bonds2

About N-(3-bromophenyl)piperidine-2-carboxamide

N-(3-bromophenyl)piperidine-2-carboxamide (PubChem CID 18073202) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is N-(3-bromophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)piperidine-2-carboxamide
PubChem CID18073202
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC NameN-(3-bromophenyl)piperidine-2-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CCCCN1
InChIInChI=1S/C12H15BrN2O/c13-9-4-3-5-10(8-9)15-12(16)11-6-1-2-7-14-11/h3-5,8,11,14H,1-2,6-7H2,(H,15,16)
InChIKeyPTNPAQJWLAGXDU-UHFFFAOYSA-N
XLogP2.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide
CID 22691460
3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
CID 104913517
3-(azepane-2-carbonylamino)benzoic acid
CID 64563826
(2R)-N-(3-chlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119671014
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
(2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride
CID 119670350
methyl N-[3-[[(2S)-piperidine-2-carbonyl]amino]phenyl]carbamate
CID 103809256
N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
CID 43710007
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119281759
2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid
CID 65350284
N-[3-(hydroxymethyl)phenyl]azepane-2-carboxamide
CID 64561657

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)piperidine-2-carboxamide?
The IUPAC name of N-(3-bromophenyl)piperidine-2-carboxamide (CID 18073202) is N-(3-bromophenyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)piperidine-2-carboxamide?
The canonical SMILES for N-(3-bromophenyl)piperidine-2-carboxamide is O=C(Nc1cccc(Br)c1)C1CCCCN1.
What is the InChIKey of N-(3-bromophenyl)piperidine-2-carboxamide?
The InChIKey is PTNPAQJWLAGXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c13-9-4-3-5-10(8-9)15-12(16)11-6-1-2-7-14-11/h3-5,8,11,14H,1-2,6-7H2,(H,15,16).
What are the key properties of N-(3-bromophenyl)piperidine-2-carboxamide?
N-(3-bromophenyl)piperidine-2-carboxamide has a molecular weight of 283.17 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 18073202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).