4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide

C22H31FN2O2 — CID 109148363

IUPAC4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide
SMILESCCC1CCCCN1C(=O)C1CCC(C(=O)NCc2ccccc2F)CC1
InChIInChI=1S/C22H31FN2O2/c1-2-19-8-5-6-14-25(19)22(27)17-12-10-16(11-13-17)21(26)24-15-18-7-3-4-9-20(18)23/h3-4,7,9,16-17,19H,2,5-6,8,10-15H2,1H3,(H,24,26)
InChIKeyKZGQTQHHYHNBIW-UHFFFAOYSA-N
MW374.50 g/mol
LogP4.04
Rot. Bonds5

About 4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide

4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 109148363) has the molecular formula C22H31FN2O2 and a molecular weight of 374.50 g/mol. Its IUPAC name is 4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide
PubChem CID109148363
Molecular FormulaC22H31FN2O2
Molecular Weight374.50 g/mol
Exact Mass374.24
IUPAC Name4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide
SMILESCCC1CCCCN1C(=O)C1CCC(C(=O)NCc2ccccc2F)CC1
InChIInChI=1S/C22H31FN2O2/c1-2-19-8-5-6-14-25(19)22(27)17-12-10-16(11-13-17)21(26)24-15-18-7-3-4-9-20(18)23/h3-4,7,9,16-17,19H,2,5-6,8,10-15H2,1H3,(H,24,26)
InChIKeyKZGQTQHHYHNBIW-UHFFFAOYSA-N
XLogP4.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-ethylpiperidine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 109149064
4-(2-ethylpiperidine-1-carbonyl)-N-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 109150013
4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109086427
N-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145110
1-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanone
CID 110671110
4-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148380
ethyl 4-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 26241437
4-(2-ethylpiperidine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide
CID 109144922
4-N-cyclopropyl-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109144675
N-[(2-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide
CID 115151204
5-(2-ethylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281326
N-(2,6-difluorophenyl)-2-ethylpiperidine-1-carboxamide
CID 108990928

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide (CID 109148363) is 4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide is CCC1CCCCN1C(=O)C1CCC(C(=O)NCc2ccccc2F)CC1.
What is the InChIKey of 4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is KZGQTQHHYHNBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN2O2/c1-2-19-8-5-6-14-25(19)22(27)17-12-10-16(11-13-17)21(26)24-15-18-7-3-4-9-20(18)23/h3-4,7,9,16-17,19H,2,5-6,8,10-15H2,1H3,(H,24,26).
What are the key properties of 4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide?
4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 374.50 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 109148363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).