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

C22H27FN2O — CID 46776173

IUPAC1-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H27FN2O/c1-16-3-7-19(8-4-16)17(2)24-22(26)20-11-13-25(14-12-20)15-18-5-9-21(23)10-6-18/h3-10,17,20H,11-15H2,1-2H3,(H,24,26)
InChIKeyJOMVUAHBNKYJFB-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.22
Rot. Bonds5

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

1-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 46776173) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
PubChem CID46776173
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name1-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H27FN2O/c1-16-3-7-19(8-4-16)17(2)24-22(26)20-11-13-25(14-12-20)15-18-5-9-21(23)10-6-18/h3-10,17,20H,11-15H2,1-2H3,(H,24,26)
InChIKeyJOMVUAHBNKYJFB-UHFFFAOYSA-N
XLogP4.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 94024263
N-[1-(3,4-dimethylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46766661
(3R)-1-[(4-fluorophenyl)methyl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 94024103
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 94013963
1-[(3-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 46776268
1-[(4-methylphenyl)methyl]-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]piperidine-4-carboxamide
CID 94013637
1-[(4-fluorophenyl)methyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-4-carboxamide
CID 133220208
N-(2,4-dimethylpentan-3-yl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 42562266
1-[(2,6-dichlorophenyl)methyl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 94024123
(3R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94024257
1-[(2-chloro-6-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 46776174
1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 100686799

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide (CID 46776173) is 1-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide is Cc1ccc(C(C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is JOMVUAHBNKYJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-16-3-7-19(8-4-16)17(2)24-22(26)20-11-13-25(14-12-20)15-18-5-9-21(23)10-6-18/h3-10,17,20H,11-15H2,1-2H3,(H,24,26).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide?
1-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 354.47 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 46776173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).