(3S)-N-(5-bromo-2-hydroxyphenyl)piperidine-3-carboxamide

C12H15BrN2O2 — CID 81135195

IUPAC(3S)-N-(5-bromo-2-hydroxyphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1cc(Br)ccc1O)[C@H]1CCCNC1
InChIInChI=1S/C12H15BrN2O2/c13-9-3-4-11(16)10(6-9)15-12(17)8-2-1-5-14-7-8/h3-4,6,8,14,16H,1-2,5,7H2,(H,15,17)/t8-/m0/s1
InChIKeyAVIBPAWEZNIRQE-QMMMGPOBSA-N
MW299.17 g/mol
LogP2.09
Rot. Bonds2

About (3S)-N-(5-bromo-2-hydroxyphenyl)piperidine-3-carboxamide

(3S)-N-(5-bromo-2-hydroxyphenyl)piperidine-3-carboxamide (PubChem CID 81135195) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is (3S)-N-(5-bromo-2-hydroxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-bromo-2-hydroxyphenyl)piperidine-3-carboxamide
PubChem CID81135195
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name(3S)-N-(5-bromo-2-hydroxyphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1cc(Br)ccc1O)[C@H]1CCCNC1
InChIInChI=1S/C12H15BrN2O2/c13-9-3-4-11(16)10(6-9)15-12(17)8-2-1-5-14-7-8/h3-4,6,8,14,16H,1-2,5,7H2,(H,15,17)/t8-/m0/s1
InChIKeyAVIBPAWEZNIRQE-QMMMGPOBSA-N
XLogP2.09
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-(2,5-dibromophenyl)piperidine-3-carboxamide
CID 81124356
4-hydroxy-3-[[(3R)-piperidine-3-carbonyl]amino]benzoic acid
CID 107265228
N-(4-bromo-2-chlorophenyl)piperidine-3-carboxamide
CID 43347399
(3S)-N-(5-bromo-2-methoxyphenyl)piperidine-3-carboxamide
CID 81140921
5-bromo-2-[[(3S)-piperidine-3-carbonyl]amino]benzoic acid
CID 81141287
(3R)-N-(4-bromo-2-nitrophenyl)piperidine-3-carboxamide
CID 81124120
N-(2-bromo-4-chlorophenyl)piperidine-3-carboxamide
CID 81263705
N-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63006028
(3S)-N-(2,4,6-tribromophenyl)piperidine-3-carboxamide
CID 28992192
(3R)-N-(2-bromo-4-sulfamoylphenyl)piperidine-3-carboxamide
CID 81125256
(3S)-N-(2-bromo-4-sulfamoylphenyl)piperidine-3-carboxamide
CID 81125110
N-(4-bromo-2-fluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119673458

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-bromo-2-hydroxyphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(5-bromo-2-hydroxyphenyl)piperidine-3-carboxamide (CID 81135195) is (3S)-N-(5-bromo-2-hydroxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(5-bromo-2-hydroxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(5-bromo-2-hydroxyphenyl)piperidine-3-carboxamide is O=C(Nc1cc(Br)ccc1O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-(5-bromo-2-hydroxyphenyl)piperidine-3-carboxamide?
The InChIKey is AVIBPAWEZNIRQE-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c13-9-3-4-11(16)10(6-9)15-12(17)8-2-1-5-14-7-8/h3-4,6,8,14,16H,1-2,5,7H2,(H,15,17)/t8-/m0/s1.
What are the key properties of (3S)-N-(5-bromo-2-hydroxyphenyl)piperidine-3-carboxamide?
(3S)-N-(5-bromo-2-hydroxyphenyl)piperidine-3-carboxamide has a molecular weight of 299.17 g/mol, XLogP of 2.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-bromo-2-hydroxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 81135195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).