(2S,4S)-N-(2,5-dimethylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride

C15H23ClN2O — CID 120615925

IUPAC(2S,4S)-N-(2,5-dimethylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCc1ccc(C)c(NC(=O)[C@H]2CCN[C@@H](C)C2)c1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-10-4-5-11(2)14(8-10)17-15(18)13-6-7-16-12(3)9-13;/h4-5,8,12-13,16H,6-7,9H2,1-3H3,(H,17,18);1H/t12-,13-;/m0./s1
InChIKeyQSEVVKJBXFAPHJ-QNTKWALQSA-N
MW282.81 g/mol
LogP3.05
Rot. Bonds2

About (2S,4S)-N-(2,5-dimethylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-(2,5-dimethylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120615925) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is (2S,4S)-N-(2,5-dimethylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-(2,5-dimethylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120615925
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name(2S,4S)-N-(2,5-dimethylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCc1ccc(C)c(NC(=O)[C@H]2CCN[C@@H](C)C2)c1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-10-4-5-11(2)14(8-10)17-15(18)13-6-7-16-12(3)9-13;/h4-5,8,12-13,16H,6-7,9H2,1-3H3,(H,17,18);1H/t12-,13-;/m0./s1
InChIKeyQSEVVKJBXFAPHJ-QNTKWALQSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-methyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate;hydrochloride
CID 120616964
(2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620817
2-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 106739038
(2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 120620818
N-(2,5-dimethylphenyl)piperidine-4-carboxamide
CID 18073176
(2S,4S)-N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636792
(2S,4S)-2-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 120620900
(2S,4S)-N-(2-hydroxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631829
3-amino-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 66030675
(2S,4S)-N-[3-(methanesulfonamido)-4-methylphenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620801
(2S,4S)-2-methyl-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120634574
N-(4-chloro-2-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 106738674

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(2,5-dimethylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-(2,5-dimethylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120615925) is (2S,4S)-N-(2,5-dimethylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-(2,5-dimethylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-(2,5-dimethylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride is Cc1ccc(C)c(NC(=O)[C@H]2CCN[C@@H](C)C2)c1.Cl.
What is the InChIKey of (2S,4S)-N-(2,5-dimethylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is QSEVVKJBXFAPHJ-QNTKWALQSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-10-4-5-11(2)14(8-10)17-15(18)13-6-7-16-12(3)9-13;/h4-5,8,12-13,16H,6-7,9H2,1-3H3,(H,17,18);1H/t12-,13-;/m0./s1.
What are the key properties of (2S,4S)-N-(2,5-dimethylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-(2,5-dimethylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(2,5-dimethylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120615925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).