N-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide

C15H21ClN2O — CID 108897666

IUPACN-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide
SMILESCC1CC(C)CN(C(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C15H21ClN2O/c1-11-7-12(2)10-18(9-11)15(19)17-8-13-5-3-4-6-14(13)16/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)
InChIKeyAMRRDLZZJJTKBP-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.53
Rot. Bonds2

About N-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide

N-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide (PubChem CID 108897666) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide
PubChem CID108897666
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide
SMILESCC1CC(C)CN(C(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C15H21ClN2O/c1-11-7-12(2)10-18(9-11)15(19)17-8-13-5-3-4-6-14(13)16/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)
InChIKeyAMRRDLZZJJTKBP-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 111459230
N-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894603
(3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 40638803
1-[(2-methoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121860
1-[(2-chlorophenyl)methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382598
N-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 23767591
N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109136195
N-[2-(2-fluorophenyl)ethyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108900039
N-[(2-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104911
N-[(2-chlorophenyl)methyl]-4-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 113107799
1-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-5-methylpiperidine-3-carboxylic acid
CID 122121551
2-[2-[[(3,4-dimethylpyrrolidine-1-carbonyl)amino]methyl]phenyl]acetic acid
CID 81311304

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide (CID 108897666) is N-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide is CC1CC(C)CN(C(=O)NCc2ccccc2Cl)C1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide?
The InChIKey is AMRRDLZZJJTKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11-7-12(2)10-18(9-11)15(19)17-8-13-5-3-4-6-14(13)16/h3-6,11-12H,7-10H2,1-2H3,(H,17,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide?
N-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 108897666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).