(2S)-N-(2-bromo-5-methylphenyl)piperidine-2-carboxamide

C13H17BrN2O — CID 104914544

IUPAC(2S)-N-(2-bromo-5-methylphenyl)piperidine-2-carboxamide
SMILESCc1ccc(Br)c(NC(=O)[C@@H]2CCCCN2)c1
InChIInChI=1S/C13H17BrN2O/c1-9-5-6-10(14)12(8-9)16-13(17)11-4-2-3-7-15-11/h5-6,8,11,15H,2-4,7H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyVCTOKLBSQIEWJG-NSHDSACASA-N
MW297.20 g/mol
LogP2.84
Rot. Bonds2

About (2S)-N-(2-bromo-5-methylphenyl)piperidine-2-carboxamide

(2S)-N-(2-bromo-5-methylphenyl)piperidine-2-carboxamide (PubChem CID 104914544) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is (2S)-N-(2-bromo-5-methylphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-bromo-5-methylphenyl)piperidine-2-carboxamide
PubChem CID104914544
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name(2S)-N-(2-bromo-5-methylphenyl)piperidine-2-carboxamide
SMILESCc1ccc(Br)c(NC(=O)[C@@H]2CCCCN2)c1
InChIInChI=1S/C13H17BrN2O/c1-9-5-6-10(14)12(8-9)16-13(17)11-4-2-3-7-15-11/h5-6,8,11,15H,2-4,7H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyVCTOKLBSQIEWJG-NSHDSACASA-N
XLogP2.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(2-bromo-4-methylphenyl)pyrrolidine-2-carboxamide
CID 22691461
(2S)-N-(2-chloro-5-methylphenyl)piperidine-2-carboxamide
CID 103808460
N-(2-bromophenyl)piperidine-2-carboxamide
CID 18071832
(2R)-N-(2-bromo-5-fluorophenyl)pyrrolidine-2-carboxamide
CID 103794703
(2S)-N-(2-chloro-5-methylphenyl)pyrrolidine-2-carboxamide
CID 103794561
N-(2-bromo-5-methylphenyl)morpholine-3-carboxamide
CID 82757225
(2S)-N-(2-chloro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 28881291
(2S)-N-(2-benzamido-5-methylphenyl)piperidine-2-carboxamide
CID 131930794
(2S)-N-(4-methyl-2-nitrophenyl)piperidine-2-carboxamide
CID 104913031
(2R)-N-(2-bromo-4-chlorophenyl)piperidine-2-carboxamide
CID 104914354
(2S)-N-(2-methoxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 61178330
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-bromo-5-methylphenyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-bromo-5-methylphenyl)piperidine-2-carboxamide (CID 104914544) is (2S)-N-(2-bromo-5-methylphenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-bromo-5-methylphenyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-bromo-5-methylphenyl)piperidine-2-carboxamide is Cc1ccc(Br)c(NC(=O)[C@@H]2CCCCN2)c1.
What is the InChIKey of (2S)-N-(2-bromo-5-methylphenyl)piperidine-2-carboxamide?
The InChIKey is VCTOKLBSQIEWJG-NSHDSACASA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-9-5-6-10(14)12(8-9)16-13(17)11-4-2-3-7-15-11/h5-6,8,11,15H,2-4,7H2,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-N-(2-bromo-5-methylphenyl)piperidine-2-carboxamide?
(2S)-N-(2-bromo-5-methylphenyl)piperidine-2-carboxamide has a molecular weight of 297.20 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-bromo-5-methylphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 104914544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).