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

C19H20ClFN2O — CID 45019171

IUPAC1-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H20ClFN2O/c20-16-6-4-14(5-7-16)13-23-10-8-15(9-11-23)19(24)22-18-3-1-2-17(21)12-18/h1-7,12,15H,8-11,13H2,(H,22,24)
InChIKeyXEAWACXNGIWIKN-UHFFFAOYSA-N
MW346.83 g/mol
LogP4.33
Rot. Bonds4

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

1-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide (PubChem CID 45019171) has the molecular formula C19H20ClFN2O and a molecular weight of 346.83 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
PubChem CID45019171
Molecular FormulaC19H20ClFN2O
Molecular Weight346.83 g/mol
Exact Mass346.12
IUPAC Name1-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H20ClFN2O/c20-16-6-4-14(5-7-16)13-23-10-8-15(9-11-23)19(24)22-18-3-1-2-17(21)12-18/h1-7,12,15H,8-11,13H2,(H,22,24)
InChIKeyXEAWACXNGIWIKN-UHFFFAOYSA-N
XLogP4.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 16909954
N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019946
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134379
1-[(4-bromophenyl)methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 43922322
1-[(4-chloro-2-fluorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 99826811
1-[(4-bromophenyl)methyl]-N-(3-methylphenyl)piperidine-4-carboxamide
CID 43919037
1-(2-cyclohexylethyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 71869057
1-(2-amino-2-methylpropyl)-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 120848161
1-[(4-chlorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45022180
(3R)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851283

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide (CID 45019171) is 1-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide is O=C(Nc1cccc(F)c1)C1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is XEAWACXNGIWIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O/c20-16-6-4-14(5-7-16)13-23-10-8-15(9-11-23)19(24)22-18-3-1-2-17(21)12-18/h1-7,12,15H,8-11,13H2,(H,22,24).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide?
1-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 346.83 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 45019171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).