1-[(2-chloro-6-fluorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide

C23H22ClFN2O — CID 45007066

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)C1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C23H22ClFN2O/c24-21-6-3-7-22(25)20(21)15-27-12-10-17(11-13-27)23(28)26-19-9-8-16-4-1-2-5-18(16)14-19/h1-9,14,17H,10-13,15H2,(H,26,28)
InChIKeyVVJXTLDGLUIPRD-UHFFFAOYSA-N
MW396.89 g/mol
LogP5.48
Rot. Bonds4

About 1-[(2-chloro-6-fluorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide

1-[(2-chloro-6-fluorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide (PubChem CID 45007066) has the molecular formula C23H22ClFN2O and a molecular weight of 396.89 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
PubChem CID45007066
Molecular FormulaC23H22ClFN2O
Molecular Weight396.89 g/mol
Exact Mass396.14
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)C1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C23H22ClFN2O/c24-21-6-3-7-22(25)20(21)15-27-12-10-17(11-13-27)23(28)26-19-9-8-16-4-1-2-5-18(16)14-19/h1-9,14,17H,10-13,15H2,(H,26,28)
InChIKeyVVJXTLDGLUIPRD-UHFFFAOYSA-N
XLogP5.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.89
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 45009865
1-[(2-chlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 45016892
1-[(2-chloro-6-fluorophenyl)methyl]-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 45013321
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-chlorophenyl)piperidine-4-carboxamide
CID 45018841
1-[(2,4-dichlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 43919622
1-[(2-chloro-6-fluorophenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 45011773
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
CID 40921987
1-[(2-chloro-6-fluorophenyl)methyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide
CID 45021735
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 53284671
N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide
CID 25249339
1-[(3-methoxyphenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 43919627
1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctylpiperidine-4-carboxamide
CID 45015159

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide (CID 45007066) is 1-[(2-chloro-6-fluorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide is O=C(Nc1ccc2ccccc2c1)C1CCN(Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide?
The InChIKey is VVJXTLDGLUIPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN2O/c24-21-6-3-7-22(25)20(21)15-27-12-10-17(11-13-27)23(28)26-19-9-8-16-4-1-2-5-18(16)14-19/h1-9,14,17H,10-13,15H2,(H,26,28).
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide?
1-[(2-chloro-6-fluorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide has a molecular weight of 396.89 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 45007066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).