N-butyl-1-(2-fluorophenyl)piperidine-4-carboxamide

C16H23FN2O — CID 17152559

IUPACN-butyl-1-(2-fluorophenyl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H23FN2O/c1-2-3-10-18-16(20)13-8-11-19(12-9-13)15-7-5-4-6-14(15)17/h4-7,13H,2-3,8-12H2,1H3,(H,18,20)
InChIKeyYTPDOHHJEGUZGZ-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.96
Rot. Bonds5

About N-butyl-1-(2-fluorophenyl)piperidine-4-carboxamide

N-butyl-1-(2-fluorophenyl)piperidine-4-carboxamide (PubChem CID 17152559) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is N-butyl-1-(2-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(2-fluorophenyl)piperidine-4-carboxamide
PubChem CID17152559
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC NameN-butyl-1-(2-fluorophenyl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H23FN2O/c1-2-3-10-18-16(20)13-8-11-19(12-9-13)15-7-5-4-6-14(15)17/h4-7,13H,2-3,8-12H2,1H3,(H,18,20)
InChIKeyYTPDOHHJEGUZGZ-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butyl-1-(2-fluorophenyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluorophenyl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 17152735
N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152804
N-(2-ethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152635
1-(2-fluorophenyl)-N-[4-(hexylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17152786
N,1-bis(2-fluorophenyl)piperidine-4-carboxamide
CID 17152573
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]cyclopropanecarboxamide
CID 7188764
1-(2-fluorophenyl)sulfonyl-N-nonylpiperidine-4-carboxamide
CID 46549939
methyl 1-(2-fluorophenyl)piperidine-4-carboxylate
CID 117028042
N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152605
1-(1,3-benzoxazol-2-yl)-N-butylpiperidine-4-carboxamide
CID 15993683
1-(2-fluorophenyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 17152616
N-butyl-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 25249272

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(2-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-(2-fluorophenyl)piperidine-4-carboxamide (CID 17152559) is N-butyl-1-(2-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-(2-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-(2-fluorophenyl)piperidine-4-carboxamide is CCCCNC(=O)C1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-butyl-1-(2-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is YTPDOHHJEGUZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-2-3-10-18-16(20)13-8-11-19(12-9-13)15-7-5-4-6-14(15)17/h4-7,13H,2-3,8-12H2,1H3,(H,18,20).
What are the key properties of N-butyl-1-(2-fluorophenyl)piperidine-4-carboxamide?
N-butyl-1-(2-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 278.37 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(2-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 17152559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).