N-[(3-chlorophenyl)methyl]-3-methyl-N-propan-2-ylpiperidine-2-carboxamide

C17H25ClN2O — CID 107067692

IUPACN-[(3-chlorophenyl)methyl]-3-methyl-N-propan-2-ylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)N(Cc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C17H25ClN2O/c1-12(2)20(11-14-7-4-8-15(18)10-14)17(21)16-13(3)6-5-9-19-16/h4,7-8,10,12-13,16,19H,5-6,9,11H2,1-3H3
InChIKeySTFSAABYNRXFRG-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.47
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-3-methyl-N-propan-2-ylpiperidine-2-carboxamide

N-[(3-chlorophenyl)methyl]-3-methyl-N-propan-2-ylpiperidine-2-carboxamide (PubChem CID 107067692) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-methyl-N-propan-2-ylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-methyl-N-propan-2-ylpiperidine-2-carboxamide
PubChem CID107067692
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-[(3-chlorophenyl)methyl]-3-methyl-N-propan-2-ylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)N(Cc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C17H25ClN2O/c1-12(2)20(11-14-7-4-8-15(18)10-14)17(21)16-13(3)6-5-9-19-16/h4,7-8,10,12-13,16,19H,5-6,9,11H2,1-3H3
InChIKeySTFSAABYNRXFRG-UHFFFAOYSA-N
XLogP3.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119289277
2-(3-chlorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106609550
N,N-dibenzyl-3-methylpiperidine-2-carboxamide
CID 130158118
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide
CID 107067678
N-[(3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide
CID 62339975
N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide
CID 107067634
N-[1-(3-chlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107067843
N-[(2,4-dichlorophenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide
CID 107067660
(2R)-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93367542
N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-propan-2-ylacetamide
CID 54871076
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
CID 119723223
2-[(3-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-cyclopentylpropanamide
CID 133263009

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-methyl-N-propan-2-ylpiperidine-2-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-methyl-N-propan-2-ylpiperidine-2-carboxamide (CID 107067692) is N-[(3-chlorophenyl)methyl]-3-methyl-N-propan-2-ylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-methyl-N-propan-2-ylpiperidine-2-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-methyl-N-propan-2-ylpiperidine-2-carboxamide is CC1CCCNC1C(=O)N(Cc1cccc(Cl)c1)C(C)C.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-methyl-N-propan-2-ylpiperidine-2-carboxamide?
The InChIKey is STFSAABYNRXFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-12(2)20(11-14-7-4-8-15(18)10-14)17(21)16-13(3)6-5-9-19-16/h4,7-8,10,12-13,16,19H,5-6,9,11H2,1-3H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-3-methyl-N-propan-2-ylpiperidine-2-carboxamide?
N-[(3-chlorophenyl)methyl]-3-methyl-N-propan-2-ylpiperidine-2-carboxamide has a molecular weight of 308.85 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-methyl-N-propan-2-ylpiperidine-2-carboxamide is sourced from PubChem (CID 107067692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).