1-(2-cyclohexylethyl)-N-(3-fluorophenyl)piperidine-4-carboxamide

C20H29FN2O — CID 71869057

IUPAC1-(2-cyclohexylethyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCN(CCC2CCCCC2)CC1
InChIInChI=1S/C20H29FN2O/c21-18-7-4-8-19(15-18)22-20(24)17-10-13-23(14-11-17)12-9-16-5-2-1-3-6-16/h4,7-8,15-17H,1-3,5-6,9-14H2,(H,22,24)
InChIKeyIWVIRQFKMACSJX-UHFFFAOYSA-N
MW332.46 g/mol
LogP4.45
Rot. Bonds5

About 1-(2-cyclohexylethyl)-N-(3-fluorophenyl)piperidine-4-carboxamide

1-(2-cyclohexylethyl)-N-(3-fluorophenyl)piperidine-4-carboxamide (PubChem CID 71869057) has the molecular formula C20H29FN2O and a molecular weight of 332.46 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-N-(3-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
PubChem CID71869057
Molecular FormulaC20H29FN2O
Molecular Weight332.46 g/mol
Exact Mass332.23
IUPAC Name1-(2-cyclohexylethyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCN(CCC2CCCCC2)CC1
InChIInChI=1S/C20H29FN2O/c21-18-7-4-8-19(15-18)22-20(24)17-10-13-23(14-11-17)12-9-16-5-2-1-3-6-16/h4,7-8,15-17H,1-3,5-6,9-14H2,(H,22,24)
InChIKeyIWVIRQFKMACSJX-UHFFFAOYSA-N
XLogP4.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-amino-2-methylpropyl)-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 120848161
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134379
1-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 45019171
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 16909954
4-N-(3-fluorophenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 113008251
trans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide
CID 7832111
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 46381335
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 75471909
(3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 9068167
N-(3-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 43037946

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-N-(3-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-cyclohexylethyl)-N-(3-fluorophenyl)piperidine-4-carboxamide (CID 71869057) is 1-(2-cyclohexylethyl)-N-(3-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyclohexylethyl)-N-(3-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyclohexylethyl)-N-(3-fluorophenyl)piperidine-4-carboxamide is O=C(Nc1cccc(F)c1)C1CCN(CCC2CCCCC2)CC1.
What is the InChIKey of 1-(2-cyclohexylethyl)-N-(3-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is IWVIRQFKMACSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O/c21-18-7-4-8-19(15-18)22-20(24)17-10-13-23(14-11-17)12-9-16-5-2-1-3-6-16/h4,7-8,15-17H,1-3,5-6,9-14H2,(H,22,24).
What are the key properties of 1-(2-cyclohexylethyl)-N-(3-fluorophenyl)piperidine-4-carboxamide?
1-(2-cyclohexylethyl)-N-(3-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 332.46 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-N-(3-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 71869057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).