N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(3-fluorophenyl)methyl]piperidine-4-carboxamide

C25H32F2N2O — CID 56661772

IUPACN-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCCC(CC)(CNC(=O)C1CCN(Cc2cccc(F)c2)CC1)c1ccc(F)cc1
InChIInChI=1S/C25H32F2N2O/c1-3-25(4-2,21-8-10-22(26)11-9-21)18-28-24(30)20-12-14-29(15-13-20)17-19-6-5-7-23(27)16-19/h5-11,16,20H,3-4,12-15,17-18H2,1-2H3,(H,28,30)
InChIKeyCTNOPWMDYLVRGS-UHFFFAOYSA-N
MW414.54 g/mol
LogP5.05
Rot. Bonds8

About N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(3-fluorophenyl)methyl]piperidine-4-carboxamide

N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(3-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 56661772) has the molecular formula C25H32F2N2O and a molecular weight of 414.54 g/mol. Its IUPAC name is N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(3-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID56661772
Molecular FormulaC25H32F2N2O
Molecular Weight414.54 g/mol
Exact Mass414.25
IUPAC NameN-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCCC(CC)(CNC(=O)C1CCN(Cc2cccc(F)c2)CC1)c1ccc(F)cc1
InChIInChI=1S/C25H32F2N2O/c1-3-25(4-2,21-8-10-22(26)11-9-21)18-28-24(30)20-12-14-29(15-13-20)17-19-6-5-7-23(27)16-19/h5-11,16,20H,3-4,12-15,17-18H2,1-2H3,(H,28,30)
InChIKeyCTNOPWMDYLVRGS-UHFFFAOYSA-N
XLogP5.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.54
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(3-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(3-fluorophenyl)methyl]piperidine-4-carboxamide (CID 56661772) is N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(3-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(3-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(3-fluorophenyl)methyl]piperidine-4-carboxamide is CCC(CC)(CNC(=O)C1CCN(Cc2cccc(F)c2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(3-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is CTNOPWMDYLVRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2N2O/c1-3-25(4-2,21-8-10-22(26)11-9-21)18-28-24(30)20-12-14-29(15-13-20)17-19-6-5-7-23(27)16-19/h5-11,16,20H,3-4,12-15,17-18H2,1-2H3,(H,28,30).
What are the key properties of N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(3-fluorophenyl)methyl]piperidine-4-carboxamide?
N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(3-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 414.54 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(3-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 56661772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).