3-methyl-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide;hydrochloride

C16H25ClN2O — CID 119943872

IUPAC3-methyl-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide;hydrochloride
SMILESCC(C)c1cccc(NC(=O)C2(C)CCCNC2)c1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12(2)13-6-4-7-14(10-13)18-15(19)16(3)8-5-9-17-11-16;/h4,6-7,10,12,17H,5,8-9,11H2,1-3H3,(H,18,19);1H
InChIKeyJIZFLLKRZQNWQX-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.56
Rot. Bonds3

About 3-methyl-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide;hydrochloride

3-methyl-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119943872) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 3-methyl-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119943872
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name3-methyl-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide;hydrochloride
SMILESCC(C)c1cccc(NC(=O)C2(C)CCCNC2)c1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12(2)13-6-4-7-14(10-13)18-15(19)16(3)8-5-9-17-11-16;/h4,6-7,10,12,17H,5,8-9,11H2,1-3H3,(H,18,19);1H
InChIKeyJIZFLLKRZQNWQX-UHFFFAOYSA-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

N-(3-acetylphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943623
N-[1-(3-acetamidophenyl)ethyl]-3-methylpiperidine-3-carboxamide
CID 119944327
N-(3-chlorophenyl)-3-methylpiperidine-3-carboxamide
CID 63132655
3-methyl-N-pyridin-4-ylpiperidine-3-carboxamide;dihydrochloride
CID 119946059
N-(4-acetamidophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943521
N-[3-(dimethylsulfamoyl)phenyl]-3-methylpiperidine-3-carboxamide
CID 119943618
3-methyl-N-[3-(methylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 63130562
N-(3-chloro-4-propan-2-yloxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944398
3-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119943848
3-methyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119944238
N-(3-imidazol-1-ylphenyl)-3-methylpiperidine-3-carboxamide
CID 63130122
N-(4-chloro-3-fluorophenyl)-3-methylpiperidine-3-carboxamide
CID 63130654

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of 3-methyl-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide;hydrochloride (CID 119943872) is 3-methyl-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 3-methyl-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide;hydrochloride is CC(C)c1cccc(NC(=O)C2(C)CCCNC2)c1.Cl.
What is the InChIKey of 3-methyl-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is JIZFLLKRZQNWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-12(2)13-6-4-7-14(10-13)18-15(19)16(3)8-5-9-17-11-16;/h4,6-7,10,12,17H,5,8-9,11H2,1-3H3,(H,18,19);1H.
What are the key properties of 3-methyl-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide;hydrochloride?
3-methyl-N-(3-propan-2-ylphenyl)piperidine-3-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 3-methyl-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119943872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).