N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

C22H27FN2O — CID 45006997

IUPACN-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN2O/c1-3-18-6-4-5-16(2)21(18)24-22(26)19-11-13-25(14-12-19)15-17-7-9-20(23)10-8-17/h4-10,19H,3,11-15H2,1-2H3,(H,24,26)
InChIKeyARBFMJOSAVUZCL-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.55
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 45006997) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID45006997
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC NameN-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN2O/c1-3-18-6-4-5-16(2)21(18)24-22(26)19-11-13-25(14-12-19)15-17-7-9-20(23)10-8-17/h4-10,19H,3,11-15H2,1-2H3,(H,24,26)
InChIKeyARBFMJOSAVUZCL-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 93492077
N-(2,3-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45012649
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
N-(2-ethyl-6-methylphenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113006759
N-(2-ethyl-6-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 113006744
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
CID 40921987
N-(2-ethyl-6-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384738
1-[(4-fluorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-4-carboxamide
CID 45014317
1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 45007705
N-(2-ethyl-6-methylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113006739
4-N-(2,6-dimethylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148442
1-[(4-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 53286131

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (CID 45006997) is N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is CCc1cccc(C)c1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is ARBFMJOSAVUZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-3-18-6-4-5-16(2)21(18)24-22(26)19-11-13-25(14-12-19)15-17-7-9-20(23)10-8-17/h4-10,19H,3,11-15H2,1-2H3,(H,24,26).
What are the key properties of N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 354.47 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 45006997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).