(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride

C16H25ClN2O — CID 120616358

IUPAC(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
SMILESCC(C)c1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-11(2)13-4-6-15(7-5-13)18-16(19)14-8-9-17-12(3)10-14;/h4-7,11-12,14,17H,8-10H2,1-3H3,(H,18,19);1H/t12-,14-;/m0./s1
InChIKeyZHAUSURGFLEKDG-KYSPHBLOSA-N
MW296.84 g/mol
LogP3.56
Rot. Bonds3

About (2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride

(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120616358) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120616358
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
SMILESCC(C)c1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-11(2)13-4-6-15(7-5-13)18-16(19)14-8-9-17-12(3)10-14;/h4-7,11-12,14,17H,8-10H2,1-3H3,(H,18,19);1H/t12-,14-;/m0./s1
InChIKeyZHAUSURGFLEKDG-KYSPHBLOSA-N
XLogP3.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 120616359
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
2-methyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
CID 106738709
methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 106739126
(2S,4S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120615898
(2S,4S)-N-(4-butan-2-yloxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624355
(2S,4S)-N-[4-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616787
N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738581
N-(4-cyanophenyl)-2-methylpiperidine-4-carboxamide
CID 106738623
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
(2S,4S)-2-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 120632144
methyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate
CID 120616157

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride (CID 120616358) is (2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride is CC(C)c1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is ZHAUSURGFLEKDG-KYSPHBLOSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-11(2)13-4-6-15(7-5-13)18-16(19)14-8-9-17-12(3)10-14;/h4-7,11-12,14,17H,8-10H2,1-3H3,(H,18,19);1H/t12-,14-;/m0./s1.
What are the key properties of (2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride?
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120616358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).