N-[(3-chlorophenyl)methyl]-2,6-dimethylpiperidine-1-carboxamide

C15H21ClN2O — CID 108898698

IUPACN-[(3-chlorophenyl)methyl]-2,6-dimethylpiperidine-1-carboxamide
SMILESCC1CCCC(C)N1C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-11-5-3-6-12(2)18(11)15(19)17-10-13-7-4-8-14(16)9-13/h4,7-9,11-12H,3,5-6,10H2,1-2H3,(H,17,19)
InChIKeyBCZJWYORCMZKRP-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.81
Rot. Bonds2

About N-[(3-chlorophenyl)methyl]-2,6-dimethylpiperidine-1-carboxamide

N-[(3-chlorophenyl)methyl]-2,6-dimethylpiperidine-1-carboxamide (PubChem CID 108898698) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2,6-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2,6-dimethylpiperidine-1-carboxamide
PubChem CID108898698
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-[(3-chlorophenyl)methyl]-2,6-dimethylpiperidine-1-carboxamide
SMILESCC1CCCC(C)N1C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-11-5-3-6-12(2)18(11)15(19)17-10-13-7-4-8-14(16)9-13/h4,7-9,11-12H,3,5-6,10H2,1-2H3,(H,17,19)
InChIKeyBCZJWYORCMZKRP-UHFFFAOYSA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-2,6-dimethylpiperidine-1-carboxamide
CID 110755036
N-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 110301242
N-[(4-chlorophenyl)methyl]-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108507737
N-[(3-chlorophenyl)methyl]-3-methyloxirane-2-carboxamide
CID 134349407
N-(3-chlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108516493
1-N-[(3-chlorophenyl)methyl]piperidine-1,4-dicarboxamide
CID 108898738
N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16769351
N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)acetamide
CID 60647316
N-[(3-chlorophenyl)methyl]oxolane-2-carboxamide
CID 2971265
N-[(3-chlorophenyl)methyl]-4-ethylpiperazine-1-carboxamide
CID 110301174
1-[(3-chlorophenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917663
N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 24603278

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2,6-dimethylpiperidine-1-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2,6-dimethylpiperidine-1-carboxamide (CID 108898698) is N-[(3-chlorophenyl)methyl]-2,6-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2,6-dimethylpiperidine-1-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2,6-dimethylpiperidine-1-carboxamide is CC1CCCC(C)N1C(=O)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2,6-dimethylpiperidine-1-carboxamide?
The InChIKey is BCZJWYORCMZKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11-5-3-6-12(2)18(11)15(19)17-10-13-7-4-8-14(16)9-13/h4,7-9,11-12H,3,5-6,10H2,1-2H3,(H,17,19).
What are the key properties of N-[(3-chlorophenyl)methyl]-2,6-dimethylpiperidine-1-carboxamide?
N-[(3-chlorophenyl)methyl]-2,6-dimethylpiperidine-1-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2,6-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 108898698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).