1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperidine-4-carboxamide

C22H33FN2O — CID 24799509

IUPAC1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperidine-4-carboxamide
SMILESCC(C)(C)C1CCC(N2CCC(C(N)=O)(c3ccccc3F)CC2)CC1
InChIInChI=1S/C22H33FN2O/c1-21(2,3)16-8-10-17(11-9-16)25-14-12-22(13-15-25,20(24)26)18-6-4-5-7-19(18)23/h4-7,16-17H,8-15H2,1-3H3,(H2,24,26)
InChIKeyFVLUEICGTGFFBL-UHFFFAOYSA-N
MW360.52 g/mol
LogP4.25
Rot. Bonds3

About 1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperidine-4-carboxamide

1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperidine-4-carboxamide (PubChem CID 24799509) has the molecular formula C22H33FN2O and a molecular weight of 360.52 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperidine-4-carboxamide
PubChem CID24799509
Molecular FormulaC22H33FN2O
Molecular Weight360.52 g/mol
Exact Mass360.26
IUPAC Name1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperidine-4-carboxamide
SMILESCC(C)(C)C1CCC(N2CCC(C(N)=O)(c3ccccc3F)CC2)CC1
InChIInChI=1S/C22H33FN2O/c1-21(2,3)16-8-10-17(11-9-16)25-14-12-22(13-15-25,20(24)26)18-6-4-5-7-19(18)23/h4-7,16-17H,8-15H2,1-3H3,(H2,24,26)
InChIKeyFVLUEICGTGFFBL-UHFFFAOYSA-N
XLogP4.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperidine-4-carboxamide (CID 24799509) is 1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperidine-4-carboxamide is CC(C)(C)C1CCC(N2CCC(C(N)=O)(c3ccccc3F)CC2)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is FVLUEICGTGFFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33FN2O/c1-21(2,3)16-8-10-17(11-9-16)25-14-12-22(13-15-25,20(24)26)18-6-4-5-7-19(18)23/h4-7,16-17H,8-15H2,1-3H3,(H2,24,26).
What are the key properties of 1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperidine-4-carboxamide?
1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 360.52 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 24799509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).