1-[(4-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide

C18H27FN2O — CID 53286131

IUPAC1-[(4-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide
SMILESCCC(CC)NC(=O)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN2O/c1-3-17(4-2)20-18(22)15-9-11-21(12-10-15)13-14-5-7-16(19)8-6-14/h5-8,15,17H,3-4,9-13H2,1-2H3,(H,20,22)
InChIKeyBPGDCOSTSUOGGM-UHFFFAOYSA-N
MW306.42 g/mol
LogP3.34
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide

1-[(4-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide (PubChem CID 53286131) has the molecular formula C18H27FN2O and a molecular weight of 306.42 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide
PubChem CID53286131
Molecular FormulaC18H27FN2O
Molecular Weight306.42 g/mol
Exact Mass306.21
IUPAC Name1-[(4-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide
SMILESCCC(CC)NC(=O)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN2O/c1-3-17(4-2)20-18(22)15-9-11-21(12-10-15)13-14-5-7-16(19)8-6-14/h5-8,15,17H,3-4,9-13H2,1-2H3,(H,20,22)
InChIKeyBPGDCOSTSUOGGM-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 53.34
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-[(3,4-dichlorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 53284678
1-[(4-fluorophenyl)methyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 46776533
1-[(4-chloro-2-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 100689176
1-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 46776173
1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 762838
1-[(4-fluorophenyl)methyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-4-carboxamide
CID 133220208
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
N-butyl-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 25249272
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 94024263
N-[1-(3,4-dimethylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46766661
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 100773907

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide (CID 53286131) is 1-[(4-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide is CCC(CC)NC(=O)C1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide?
The InChIKey is BPGDCOSTSUOGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O/c1-3-17(4-2)20-18(22)15-9-11-21(12-10-15)13-14-5-7-16(19)8-6-14/h5-8,15,17H,3-4,9-13H2,1-2H3,(H,20,22).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide?
1-[(4-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide has a molecular weight of 306.42 g/mol, XLogP of 3.34, 6 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-pentan-3-ylpiperidine-4-carboxamide is sourced from PubChem (CID 53286131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).