1-butyl-N-[2-(fluoromethyl)-6-methylphenyl]piperidine-2-carboxamide

C18H27FN2O — CID 122503909

IUPAC1-butyl-N-[2-(fluoromethyl)-6-methylphenyl]piperidine-2-carboxamide
SMILESCCCCN1CCCCC1C(=O)Nc1c(C)cccc1CF
InChIInChI=1S/C18H27FN2O/c1-3-4-11-21-12-6-5-10-16(21)18(22)20-17-14(2)8-7-9-15(17)13-19/h7-9,16H,3-6,10-13H2,1-2H3,(H,20,22)
InChIKeyXEUKSHCLCBJXCN-UHFFFAOYSA-N
MW306.43 g/mol
LogP4.06
Rot. Bonds6

About 1-butyl-N-[2-(fluoromethyl)-6-methylphenyl]piperidine-2-carboxamide

1-butyl-N-[2-(fluoromethyl)-6-methylphenyl]piperidine-2-carboxamide (PubChem CID 122503909) has the molecular formula C18H27FN2O and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-butyl-N-[2-(fluoromethyl)-6-methylphenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[2-(fluoromethyl)-6-methylphenyl]piperidine-2-carboxamide
PubChem CID122503909
Molecular FormulaC18H27FN2O
Molecular Weight306.43 g/mol
Exact Mass306.21
IUPAC Name1-butyl-N-[2-(fluoromethyl)-6-methylphenyl]piperidine-2-carboxamide
SMILESCCCCN1CCCCC1C(=O)Nc1c(C)cccc1CF
InChIInChI=1S/C18H27FN2O/c1-3-4-11-21-12-6-5-10-16(21)18(22)20-17-14(2)8-7-9-15(17)13-19/h7-9,16H,3-6,10-13H2,1-2H3,(H,20,22)
InChIKeyXEUKSHCLCBJXCN-UHFFFAOYSA-N
XLogP4.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-butyl-N-[2-(fluoromethyl)-6-methylphenyl]piperidine-2-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-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
CID 77242336
(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide chloride
CID 154730536
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;methanol
CID 66709536
(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;phosphoric acid
CID 66615074
N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride
CID 174853104
(2S)-N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride
CID 156775866
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;chloride;hydrate
CID 170923314
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;hydrate;hydrochloride
CID 6918111
(2S)-N-(2,6-diethylphenyl)-1-(5-fluoropentyl)piperidine-2-carboxamide
CID 156775827
1-(3-chloropropyl)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride
CID 174852348
(2R)-N-(2,6-dimethylphenyl)-1-ethylpiperidine-2-carboxamide
CID 71421475
[1-butyl-2-[(2,6-dimethylphenyl)carbamoyl]piperidin-4-yl] thiohypofluorite
CID 178083121

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[2-(fluoromethyl)-6-methylphenyl]piperidine-2-carboxamide?
The IUPAC name of 1-butyl-N-[2-(fluoromethyl)-6-methylphenyl]piperidine-2-carboxamide (CID 122503909) is 1-butyl-N-[2-(fluoromethyl)-6-methylphenyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-butyl-N-[2-(fluoromethyl)-6-methylphenyl]piperidine-2-carboxamide?
The canonical SMILES for 1-butyl-N-[2-(fluoromethyl)-6-methylphenyl]piperidine-2-carboxamide is CCCCN1CCCCC1C(=O)Nc1c(C)cccc1CF.
What is the InChIKey of 1-butyl-N-[2-(fluoromethyl)-6-methylphenyl]piperidine-2-carboxamide?
The InChIKey is XEUKSHCLCBJXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O/c1-3-4-11-21-12-6-5-10-16(21)18(22)20-17-14(2)8-7-9-15(17)13-19/h7-9,16H,3-6,10-13H2,1-2H3,(H,20,22).
What are the key properties of 1-butyl-N-[2-(fluoromethyl)-6-methylphenyl]piperidine-2-carboxamide?
1-butyl-N-[2-(fluoromethyl)-6-methylphenyl]piperidine-2-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[2-(fluoromethyl)-6-methylphenyl]piperidine-2-carboxamide is sourced from PubChem (CID 122503909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).