(3S,5S)-N-(4-bromo-2-methylphenyl)-3,5-dimethylpiperidine-1-carboxamide

C15H21BrN2O — CID 51945173

IUPAC(3S,5S)-N-(4-bromo-2-methylphenyl)-3,5-dimethylpiperidine-1-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)N1C[C@@H](C)C[C@H](C)C1
InChIInChI=1S/C15H21BrN2O/c1-10-6-11(2)9-18(8-10)15(19)17-14-5-4-13(16)7-12(14)3/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,17,19)/t10-,11-/m0/s1
InChIKeyGACVPMNHIRNLIV-QWRGUYRKSA-N
MW325.25 g/mol
LogP4.27
Rot. Bonds1

About (3S,5S)-N-(4-bromo-2-methylphenyl)-3,5-dimethylpiperidine-1-carboxamide

(3S,5S)-N-(4-bromo-2-methylphenyl)-3,5-dimethylpiperidine-1-carboxamide (PubChem CID 51945173) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is (3S,5S)-N-(4-bromo-2-methylphenyl)-3,5-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S,5S)-N-(4-bromo-2-methylphenyl)-3,5-dimethylpiperidine-1-carboxamide
PubChem CID51945173
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name(3S,5S)-N-(4-bromo-2-methylphenyl)-3,5-dimethylpiperidine-1-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)N1C[C@@H](C)C[C@H](C)C1
InChIInChI=1S/C15H21BrN2O/c1-10-6-11(2)9-18(8-10)15(19)17-14-5-4-13(16)7-12(14)3/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,17,19)/t10-,11-/m0/s1
InChIKeyGACVPMNHIRNLIV-QWRGUYRKSA-N
XLogP4.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-2-methylphenyl)-4-formylpiperazine-1-carboxamide
CID 23848858
(3S,5R)-N-[3-[[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylphenyl]-3,5-dimethylpiperidine-1-carboxamide
CID 27806673
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-methylacetamide
CID 8539797
5-bromo-2-[(3-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 62074012
N-(4-bromo-2-methylphenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108959255
1-[(5-bromo-2,4-dimethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102886
4-bromo-2-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 79181856
5-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 63654758
(3R)-N-(4-bromo-2-chlorophenyl)-3-methylpiperidine-1-carboxamide
CID 40635770
3,5-dimethyl-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide
CID 108892509
N-(4-bromo-2-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 17262885
ethyl 2-[4-[(4-bromo-2-methylphenyl)carbamoyl]piperazin-1-yl]acetate
CID 3721507

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-N-(4-bromo-2-methylphenyl)-3,5-dimethylpiperidine-1-carboxamide?
The IUPAC name of (3S,5S)-N-(4-bromo-2-methylphenyl)-3,5-dimethylpiperidine-1-carboxamide (CID 51945173) is (3S,5S)-N-(4-bromo-2-methylphenyl)-3,5-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for (3S,5S)-N-(4-bromo-2-methylphenyl)-3,5-dimethylpiperidine-1-carboxamide?
The canonical SMILES for (3S,5S)-N-(4-bromo-2-methylphenyl)-3,5-dimethylpiperidine-1-carboxamide is Cc1cc(Br)ccc1NC(=O)N1C[C@@H](C)C[C@H](C)C1.
What is the InChIKey of (3S,5S)-N-(4-bromo-2-methylphenyl)-3,5-dimethylpiperidine-1-carboxamide?
The InChIKey is GACVPMNHIRNLIV-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-10-6-11(2)9-18(8-10)15(19)17-14-5-4-13(16)7-12(14)3/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,17,19)/t10-,11-/m0/s1.
What are the key properties of (3S,5S)-N-(4-bromo-2-methylphenyl)-3,5-dimethylpiperidine-1-carboxamide?
(3S,5S)-N-(4-bromo-2-methylphenyl)-3,5-dimethylpiperidine-1-carboxamide has a molecular weight of 325.25 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-N-(4-bromo-2-methylphenyl)-3,5-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 51945173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).