1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide

C17H25FN2O — CID 762838

IUPAC1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN2O/c1-13(2)11-19-17(21)15-7-9-20(10-8-15)12-14-3-5-16(18)6-4-14/h3-6,13,15H,7-12H2,1-2H3,(H,19,21)
InChIKeyWJCDLIWIODIIKV-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.81
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide

1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 762838) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
PubChem CID762838
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN2O/c1-13(2)11-19-17(21)15-7-9-20(10-8-15)12-14-3-5-16(18)6-4-14/h3-6,13,15H,7-12H2,1-2H3,(H,19,21)
InChIKeyWJCDLIWIODIIKV-UHFFFAOYSA-N
XLogP2.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylpentan-3-yl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 42562266
1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide;oxalic acid
CID 2903427
N-butyl-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 25249272
1-[(4-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 53286131
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46774662
1-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 46776173
1-[(4-fluorophenyl)methyl]-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 45021320
1-[(4-fluorophenyl)methyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-4-carboxamide
CID 133220208
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825
1-[(4-ethylphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 795830
2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-(2-methylpropyl)acetamide
CID 30673207

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide (CID 762838) is 1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide is CC(C)CNC(=O)C1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The InChIKey is WJCDLIWIODIIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-13(2)11-19-17(21)15-7-9-20(10-8-15)12-14-3-5-16(18)6-4-14/h3-6,13,15H,7-12H2,1-2H3,(H,19,21).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 2.81, 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-(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 762838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).