3-(3-bromoanilino)piperidine-3-carboxamide

C12H16BrN3O — CID 79307348

IUPAC3-(3-bromoanilino)piperidine-3-carboxamide
SMILESNC(=O)C1(Nc2cccc(Br)c2)CCCNC1
InChIInChI=1S/C12H16BrN3O/c13-9-3-1-4-10(7-9)16-12(11(14)17)5-2-6-15-8-12/h1,3-4,7,15-16H,2,5-6,8H2,(H2,14,17)
InChIKeyKVOWTLWMUFIICR-UHFFFAOYSA-N
MW298.18 g/mol
LogP1.47
Rot. Bonds3

About 3-(3-bromoanilino)piperidine-3-carboxamide

3-(3-bromoanilino)piperidine-3-carboxamide (PubChem CID 79307348) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is 3-(3-bromoanilino)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-(3-bromoanilino)piperidine-3-carboxamide
PubChem CID79307348
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name3-(3-bromoanilino)piperidine-3-carboxamide
SMILESNC(=O)C1(Nc2cccc(Br)c2)CCCNC1
InChIInChI=1S/C12H16BrN3O/c13-9-3-1-4-10(7-9)16-12(11(14)17)5-2-6-15-8-12/h1,3-4,7,15-16H,2,5-6,8H2,(H2,14,17)
InChIKeyKVOWTLWMUFIICR-UHFFFAOYSA-N
XLogP1.47
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromoanilino)cyclobutane-1-carboxamide
CID 61006550
3-(3-chloroanilino)piperidine-3-carboxamide
CID 79308455
3-(3-fluoro-5-methylanilino)piperidine-3-carboxamide
CID 79308057
1-(3-methylanilino)cyclohexane-1-carboxamide
CID 54892073
3-anilinopiperidine-3-carboxylic acid
CID 131691987
3-(2-methylanilino)piperidine-3-carboxamide
CID 79308355
1-(3-bromoanilino)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 64755712
N-(3-bromophenyl)-3-ethylpiperidine-3-carboxamide
CID 63132260
ethyl 3-(3-bromoanilino)thiane-3-carboxylate
CID 62873291
1-(3-bromoanilino)-2,2-dimethylcyclohexane-1-carboxylic acid
CID 79847327
1-[[2-(3-bromophenoxy)acetyl]amino]cyclohexane-1-carboxamide
CID 78903343
1-(3-bromoanilino)-2,3-dihydroindene-1-carboxamide
CID 61006539

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromoanilino)piperidine-3-carboxamide?
The IUPAC name of 3-(3-bromoanilino)piperidine-3-carboxamide (CID 79307348) is 3-(3-bromoanilino)piperidine-3-carboxamide.
What is the SMILES notation for 3-(3-bromoanilino)piperidine-3-carboxamide?
The canonical SMILES for 3-(3-bromoanilino)piperidine-3-carboxamide is NC(=O)C1(Nc2cccc(Br)c2)CCCNC1.
What is the InChIKey of 3-(3-bromoanilino)piperidine-3-carboxamide?
The InChIKey is KVOWTLWMUFIICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c13-9-3-1-4-10(7-9)16-12(11(14)17)5-2-6-15-8-12/h1,3-4,7,15-16H,2,5-6,8H2,(H2,14,17).
What are the key properties of 3-(3-bromoanilino)piperidine-3-carboxamide?
3-(3-bromoanilino)piperidine-3-carboxamide has a molecular weight of 298.18 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromoanilino)piperidine-3-carboxamide is sourced from PubChem (CID 79307348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).