N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide

C26H35FN2O2 — CID 56658277

IUPACN-[2-ethyl-2-(4-fluorophenyl)butyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
SMILESCCC(CC)(CNC(=O)C1CCN(CCOc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C26H35FN2O2/c1-3-26(4-2,22-10-12-23(27)13-11-22)20-28-25(30)21-14-16-29(17-15-21)18-19-31-24-8-6-5-7-9-24/h5-13,21H,3-4,14-20H2,1-2H3,(H,28,30)
InChIKeySYCQMNFVAMOPJZ-UHFFFAOYSA-N
MW426.58 g/mol
LogP4.79
Rot. Bonds10

About N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide

N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide (PubChem CID 56658277) has the molecular formula C26H35FN2O2 and a molecular weight of 426.58 g/mol. Its IUPAC name is N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(4-fluorophenyl)butyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
PubChem CID56658277
Molecular FormulaC26H35FN2O2
Molecular Weight426.58 g/mol
Exact Mass426.27
IUPAC NameN-[2-ethyl-2-(4-fluorophenyl)butyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
SMILESCCC(CC)(CNC(=O)C1CCN(CCOc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C26H35FN2O2/c1-3-26(4-2,22-10-12-23(27)13-11-22)20-28-25(30)21-14-16-29(17-15-21)18-19-31-24-8-6-5-7-9-24/h5-13,21H,3-4,14-20H2,1-2H3,(H,28,30)
InChIKeySYCQMNFVAMOPJZ-UHFFFAOYSA-N
XLogP4.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide (CID 56658277) is N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide is CCC(CC)(CNC(=O)C1CCN(CCOc2ccccc2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide?
The InChIKey is SYCQMNFVAMOPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN2O2/c1-3-26(4-2,22-10-12-23(27)13-11-22)20-28-25(30)21-14-16-29(17-15-21)18-19-31-24-8-6-5-7-9-24/h5-13,21H,3-4,14-20H2,1-2H3,(H,28,30).
What are the key properties of N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide?
N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide has a molecular weight of 426.58 g/mol, XLogP of 4.79, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 56658277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).