4-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide

C21H31FN2O — CID 24800188

IUPAC4-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide
SMILESCC(C)C1CCC(N2CCC(C(N)=O)(c3ccccc3F)CC2)CC1
InChIInChI=1S/C21H31FN2O/c1-15(2)16-7-9-17(10-8-16)24-13-11-21(12-14-24,20(23)25)18-5-3-4-6-19(18)22/h3-6,15-17H,7-14H2,1-2H3,(H2,23,25)
InChIKeyQBQUJQMXMJYXBA-UHFFFAOYSA-N
MW346.49 g/mol
LogP3.86
Rot. Bonds4

About 4-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide

4-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide (PubChem CID 24800188) has the molecular formula C21H31FN2O and a molecular weight of 346.49 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide
PubChem CID24800188
Molecular FormulaC21H31FN2O
Molecular Weight346.49 g/mol
Exact Mass346.24
IUPAC Name4-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide
SMILESCC(C)C1CCC(N2CCC(C(N)=O)(c3ccccc3F)CC2)CC1
InChIInChI=1S/C21H31FN2O/c1-15(2)16-7-9-17(10-8-16)24-13-11-21(12-14-24,20(23)25)18-5-3-4-6-19(18)22/h3-6,15-17H,7-14H2,1-2H3,(H2,23,25)
InChIKeyQBQUJQMXMJYXBA-UHFFFAOYSA-N
XLogP3.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide (CID 24800188) is 4-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide is CC(C)C1CCC(N2CCC(C(N)=O)(c3ccccc3F)CC2)CC1.
What is the InChIKey of 4-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide?
The InChIKey is QBQUJQMXMJYXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN2O/c1-15(2)16-7-9-17(10-8-16)24-13-11-21(12-14-24,20(23)25)18-5-3-4-6-19(18)22/h3-6,15-17H,7-14H2,1-2H3,(H2,23,25).
What are the key properties of 4-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide?
4-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide has a molecular weight of 346.49 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide is sourced from PubChem (CID 24800188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).