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

C17H25FN2O — CID 25249272

IUPACN-butyl-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN2O/c1-2-3-10-19-17(21)15-8-11-20(12-9-15)13-14-4-6-16(18)7-5-14/h4-7,15H,2-3,8-13H2,1H3,(H,19,21)
InChIKeyAUMDNLNGKRCLDE-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.95
Rot. Bonds6

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

N-butyl-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 25249272) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-butyl-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID25249272
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-butyl-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN2O/c1-2-3-10-19-17(21)15-8-11-20(12-9-15)13-14-4-6-16(18)7-5-14/h4-7,15H,2-3,8-13H2,1H3,(H,19,21)
InChIKeyAUMDNLNGKRCLDE-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-pentylpiperidine-4-carboxamide
CID 45011479
1-N-butyl-4-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109145063
1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 762838
N-butyl-1-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]piperidine-4-carboxamide
CID 134094205
N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46774662
1-[(4-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 53286131
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentylpiperidine-4-carboxamide
CID 38152040
N-(2,4-dimethylpentan-3-yl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 42562266
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938
1-[2-(4-fluorophenyl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide
CID 55717756
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (CID 25249272) is N-butyl-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is CCCCNC(=O)C1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-butyl-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is AUMDNLNGKRCLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-2-3-10-19-17(21)15-8-11-20(12-9-15)13-14-4-6-16(18)7-5-14/h4-7,15H,2-3,8-13H2,1H3,(H,19,21).
What are the key properties of N-butyl-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
N-butyl-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 25249272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).