1-[(4-fluorophenyl)methyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-4-carboxamide

C24H31FN2O — CID 133220208

IUPAC1-[(4-fluorophenyl)methyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-4-carboxamide
SMILESCc1cc(C)c(C(C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1C
InChIInChI=1S/C24H31FN2O/c1-16-13-18(3)23(14-17(16)2)19(4)26-24(28)21-9-11-27(12-10-21)15-20-5-7-22(25)8-6-20/h5-8,13-14,19,21H,9-12,15H2,1-4H3,(H,26,28)
InChIKeyQOMAQQCHUAVEJC-UHFFFAOYSA-N
MW382.52 g/mol
LogP4.84
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-4-carboxamide

1-[(4-fluorophenyl)methyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 133220208) has the molecular formula C24H31FN2O and a molecular weight of 382.52 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-4-carboxamide
PubChem CID133220208
Molecular FormulaC24H31FN2O
Molecular Weight382.52 g/mol
Exact Mass382.24
IUPAC Name1-[(4-fluorophenyl)methyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-4-carboxamide
SMILESCc1cc(C)c(C(C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1C
InChIInChI=1S/C24H31FN2O/c1-16-13-18(3)23(14-17(16)2)19(4)26-24(28)21-9-11-27(12-10-21)15-20-5-7-22(25)8-6-20/h5-8,13-14,19,21H,9-12,15H2,1-4H3,(H,26,28)
InChIKeyQOMAQQCHUAVEJC-UHFFFAOYSA-N
XLogP4.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.52
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-dimethylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46766661
1-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 46776173
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 100773907
N-(2,4-dimethylpentan-3-yl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 42562266
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 94024263
1-[(4-chlorophenyl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 46776367
1-[(4-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 53286131
1-[(4-bromophenyl)methyl]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide
CID 133217343
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 94013963
1-benzyl-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 47072278
1-[(3-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 46776268
1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 762838

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-4-carboxamide (CID 133220208) is 1-[(4-fluorophenyl)methyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-4-carboxamide is Cc1cc(C)c(C(C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1C.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is QOMAQQCHUAVEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O/c1-16-13-18(3)23(14-17(16)2)19(4)26-24(28)21-9-11-27(12-10-21)15-20-5-7-22(25)8-6-20/h5-8,13-14,19,21H,9-12,15H2,1-4H3,(H,26,28).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-4-carboxamide?
1-[(4-fluorophenyl)methyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 382.52 g/mol, XLogP of 4.84, 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-(2,4,5-trimethylphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 133220208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).