(2S,4S)-N-ethyl-2-methyl-N-phenylpiperidine-4-carboxamide;hydrochloride

C15H23ClN2O — CID 120616057

IUPAC(2S,4S)-N-ethyl-2-methyl-N-phenylpiperidine-4-carboxamide;hydrochloride
SMILESCCN(C(=O)[C@H]1CCN[C@@H](C)C1)c1ccccc1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-3-17(14-7-5-4-6-8-14)15(18)13-9-10-16-12(2)11-13;/h4-8,12-13,16H,3,9-11H2,1-2H3;1H/t12-,13-;/m0./s1
InChIKeyCDQYIMOIHXCWOD-QNTKWALQSA-N
MW282.81 g/mol
LogP2.85
Rot. Bonds3

About (2S,4S)-N-ethyl-2-methyl-N-phenylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-ethyl-2-methyl-N-phenylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120616057) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is (2S,4S)-N-ethyl-2-methyl-N-phenylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-ethyl-2-methyl-N-phenylpiperidine-4-carboxamide;hydrochloride
PubChem CID120616057
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name(2S,4S)-N-ethyl-2-methyl-N-phenylpiperidine-4-carboxamide;hydrochloride
SMILESCCN(C(=O)[C@H]1CCN[C@@H](C)C1)c1ccccc1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-3-17(14-7-5-4-6-8-14)15(18)13-9-10-16-12(2)11-13;/h4-8,12-13,16H,3,9-11H2,1-2H3;1H/t12-,13-;/m0./s1
InChIKeyCDQYIMOIHXCWOD-QNTKWALQSA-N
XLogP2.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methyl-N-phenylpiperidine-4-carboxamide
CID 106738635
N-ethyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 119670332
N-ethyl-N-(2-fluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106739902
N-ethyl-N-phenylcyclobutanecarboxamide
CID 39946342
2-(4-methyl-N-(2-methylpiperidine-4-carbonyl)anilino)acetic acid
CID 106739630
4-[ethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784653
N-ethyl-N-phenylcyclohexanecarboxamide
CID 3884538
(2S,4S)-N-benzyl-N-cyclopropyl-2-methylpiperidine-4-carboxamide
CID 120619878
N-ethyl-6-methyl-N-phenylpiperidine-2-carboxamide
CID 24699676
(2S,4S)-N,2-dimethyl-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 120617248
N-ethyl-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119280403
3-[ethyl-(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550633

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-ethyl-2-methyl-N-phenylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-ethyl-2-methyl-N-phenylpiperidine-4-carboxamide;hydrochloride (CID 120616057) is (2S,4S)-N-ethyl-2-methyl-N-phenylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-ethyl-2-methyl-N-phenylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-ethyl-2-methyl-N-phenylpiperidine-4-carboxamide;hydrochloride is CCN(C(=O)[C@H]1CCN[C@@H](C)C1)c1ccccc1.Cl.
What is the InChIKey of (2S,4S)-N-ethyl-2-methyl-N-phenylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is CDQYIMOIHXCWOD-QNTKWALQSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-3-17(14-7-5-4-6-8-14)15(18)13-9-10-16-12(2)11-13;/h4-8,12-13,16H,3,9-11H2,1-2H3;1H/t12-,13-;/m0./s1.
What are the key properties of (2S,4S)-N-ethyl-2-methyl-N-phenylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-ethyl-2-methyl-N-phenylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-ethyl-2-methyl-N-phenylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120616057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).