(2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide;hydrochloride

C15H23ClN2O — CID 66586222

IUPAC(2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide;hydrochloride
SMILESCc1cccc(C)c1NC(=O)[C@@H]1CCCCN1C.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3;/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18);1H/t13-;/m0./s1
InChIKeyRETIMRUQNCDCQB-ZOWNYOTGSA-N
MW282.81 g/mol
LogP3.15
Rot. Bonds2

About (2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide;hydrochloride

(2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide;hydrochloride (PubChem CID 66586222) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is (2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide;hydrochloride
PubChem CID66586222
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name(2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide;hydrochloride
SMILESCc1cccc(C)c1NC(=O)[C@@H]1CCCCN1C.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3;/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18);1H/t13-;/m0./s1
InChIKeyRETIMRUQNCDCQB-ZOWNYOTGSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(4-hydroxy-2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide
CID 91667722
N-(2,6-difluorophenyl)-1-methylpiperidine-2-carboxamide
CID 110865260
N-(4-hydroxy-2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide
CID 3030441
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;hydrate;hydrochloride
CID 6918111
(2R)-N-(2,6-dimethylphenyl)-1-ethylpiperidine-2-carboxamide
CID 71421475
(2S)-N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride
CID 156775866
1-(3-chloropropyl)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride
CID 174852348
N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride
CID 174853104
(2R)-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-2-carboxamide
CID 125331278
N-(2,6-dimethylphenyl)-1-prop-1-ynylpiperidine-2-carboxamide;hydrochloride
CID 175167521
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;chloride;hydrate
CID 170923314
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
CID 77242336

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide;hydrochloride (CID 66586222) is (2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide;hydrochloride is Cc1cccc(C)c1NC(=O)[C@@H]1CCCCN1C.Cl.
What is the InChIKey of (2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide;hydrochloride?
The InChIKey is RETIMRUQNCDCQB-ZOWNYOTGSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3;/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18);1H/t13-;/m0./s1.
What are the key properties of (2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide;hydrochloride?
(2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 66586222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).