(2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride

C12H16BrClN2O — CID 119670350

IUPAC(2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(Br)cc1)[C@@H]1CCCCN1
InChIInChI=1S/C12H15BrN2O.ClH/c13-9-4-6-10(7-5-9)15-12(16)11-3-1-2-8-14-11;/h4-7,11,14H,1-3,8H2,(H,15,16);1H/t11-;/m0./s1
InChIKeyDGBRICKNVGSKRK-MERQFXBCSA-N
MW319.63 g/mol
LogP2.95
Rot. Bonds2

About (2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride

(2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119670350) has the molecular formula C12H16BrClN2O and a molecular weight of 319.63 g/mol. Its IUPAC name is (2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride
PubChem CID119670350
Molecular FormulaC12H16BrClN2O
Molecular Weight319.63 g/mol
Exact Mass318.01
IUPAC Name(2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(Br)cc1)[C@@H]1CCCCN1
InChIInChI=1S/C12H15BrN2O.ClH/c13-9-4-6-10(7-5-9)15-12(16)11-3-1-2-8-14-11;/h4-7,11,14H,1-3,8H2,(H,15,16);1H/t11-;/m0./s1
InChIKeyDGBRICKNVGSKRK-MERQFXBCSA-N
XLogP2.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-2-carboxamide
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N-(3-bromophenyl)piperidine-2-carboxamide
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(2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
CID 103808067
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
N-[4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
CID 43709925
(2R)-N-(4-bromo-3-chlorophenyl)piperidine-2-carboxamide
CID 107620300
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CID 119684891

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride (CID 119670350) is (2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(Br)cc1)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is DGBRICKNVGSKRK-MERQFXBCSA-N. The full InChI is InChI=1S/C12H15BrN2O.ClH/c13-9-4-6-10(7-5-9)15-12(16)11-3-1-2-8-14-11;/h4-7,11,14H,1-3,8H2,(H,15,16);1H/t11-;/m0./s1.
What are the key properties of (2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride?
(2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 319.63 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119670350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).