1-[(3-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide

C21H24ClFN2O — CID 46776268

IUPAC1-[(3-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H24ClFN2O/c1-15(17-5-7-20(23)8-6-17)24-21(26)18-9-11-25(12-10-18)14-16-3-2-4-19(22)13-16/h2-8,13,15,18H,9-12,14H2,1H3,(H,24,26)
InChIKeyNJQXBZMZRZQGKZ-UHFFFAOYSA-N
MW374.89 g/mol
LogP4.57
Rot. Bonds5

About 1-[(3-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide

1-[(3-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide (PubChem CID 46776268) has the molecular formula C21H24ClFN2O and a molecular weight of 374.89 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
PubChem CID46776268
Molecular FormulaC21H24ClFN2O
Molecular Weight374.89 g/mol
Exact Mass374.16
IUPAC Name1-[(3-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H24ClFN2O/c1-15(17-5-7-20(23)8-6-17)24-21(26)18-9-11-25(12-10-18)14-16-3-2-4-19(22)13-16/h2-8,13,15,18H,9-12,14H2,1H3,(H,24,26)
InChIKeyNJQXBZMZRZQGKZ-UHFFFAOYSA-N
XLogP4.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 1343521
1-[(3-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]piperidine-4-carboxamide
CID 100751573
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 94024263
1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 100686799
1-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 46776173
N-[1-(3,4-dimethylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46766661
1-[(3-chlorophenyl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 46776366
1-[(4-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 2187102
(3S)-1-[(3-chlorophenyl)methylsulfonyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 124561555
1-[(4-fluorophenyl)methyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-4-carboxamide
CID 133220208
1-[(3-chlorophenyl)methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide
CID 46766881
N-(2,4-dimethylpentan-3-yl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 42562266

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide (CID 46776268) is 1-[(3-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide is CC(NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is NJQXBZMZRZQGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O/c1-15(17-5-7-20(23)8-6-17)24-21(26)18-9-11-25(12-10-18)14-16-3-2-4-19(22)13-16/h2-8,13,15,18H,9-12,14H2,1H3,(H,24,26).
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide?
1-[(3-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 374.89 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 46776268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).