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

C28H37FN2O — CID 24799848

IUPACN-benzyl-4-(4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide
SMILESCC(C)C1CCC(N2CCC(C(=O)NCc3ccccc3)(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C28H37FN2O/c1-21(2)23-8-14-26(15-9-23)31-18-16-28(17-19-31,24-10-12-25(29)13-11-24)27(32)30-20-22-6-4-3-5-7-22/h3-7,10-13,21,23,26H,8-9,14-20H2,1-2H3,(H,30,32)
InChIKeyLIOQJRGSJFWIQR-UHFFFAOYSA-N
MW436.62 g/mol
LogP5.69
Rot. Bonds6

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

N-benzyl-4-(4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide (PubChem CID 24799848) has the molecular formula C28H37FN2O and a molecular weight of 436.62 g/mol. Its IUPAC name is N-benzyl-4-(4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide
PubChem CID24799848
Molecular FormulaC28H37FN2O
Molecular Weight436.62 g/mol
Exact Mass436.29
IUPAC NameN-benzyl-4-(4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide
SMILESCC(C)C1CCC(N2CCC(C(=O)NCc3ccccc3)(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C28H37FN2O/c1-21(2)23-8-14-26(15-9-23)31-18-16-28(17-19-31,24-10-12-25(29)13-11-24)27(32)30-20-22-6-4-3-5-7-22/h3-7,10-13,21,23,26H,8-9,14-20H2,1-2H3,(H,30,32)
InChIKeyLIOQJRGSJFWIQR-UHFFFAOYSA-N
XLogP5.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.62
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-4-(4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide (CID 24799848) is N-benzyl-4-(4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-4-(4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-4-(4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide is CC(C)C1CCC(N2CCC(C(=O)NCc3ccccc3)(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of N-benzyl-4-(4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide?
The InChIKey is LIOQJRGSJFWIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37FN2O/c1-21(2)23-8-14-26(15-9-23)31-18-16-28(17-19-31,24-10-12-25(29)13-11-24)27(32)30-20-22-6-4-3-5-7-22/h3-7,10-13,21,23,26H,8-9,14-20H2,1-2H3,(H,30,32).
What are the key properties of N-benzyl-4-(4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide?
N-benzyl-4-(4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide has a molecular weight of 436.62 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide is sourced from PubChem (CID 24799848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).