2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide

C28H31F5N2O2 — CID 131992276

IUPAC2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide
SMILESO=C(NCc1cc(F)cc(C(F)(F)F)c1)C1(C2CC2)CCC(N2CCC(c3ccc(F)cc3)CC2)CO1
InChIInChI=1S/C28H31F5N2O2/c29-23-5-1-19(2-6-23)20-8-11-35(12-9-20)25-7-10-27(37-17-25,21-3-4-21)26(36)34-16-18-13-22(28(31,32)33)15-24(30)14-18/h1-2,5-6,13-15,20-21,25H,3-4,7-12,16-17H2,(H,34,36)
InChIKeyTZNBGWMRGYCTJZ-UHFFFAOYSA-N
MW522.56 g/mol
LogP5.81
Rot. Bonds6

About 2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide

2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide (PubChem CID 131992276) has the molecular formula C28H31F5N2O2 and a molecular weight of 522.56 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide
PubChem CID131992276
Molecular FormulaC28H31F5N2O2
Molecular Weight522.56 g/mol
Exact Mass522.23
IUPAC Name2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide
SMILESO=C(NCc1cc(F)cc(C(F)(F)F)c1)C1(C2CC2)CCC(N2CCC(c3ccc(F)cc3)CC2)CO1
InChIInChI=1S/C28H31F5N2O2/c29-23-5-1-19(2-6-23)20-8-11-35(12-9-20)25-7-10-27(37-17-25,21-3-4-21)26(36)34-16-18-13-22(28(31,32)33)15-24(30)14-18/h1-2,5-6,13-15,20-21,25H,3-4,7-12,16-17H2,(H,34,36)
InChIKeyTZNBGWMRGYCTJZ-UHFFFAOYSA-N
XLogP5.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.56
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide?
The IUPAC name of 2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide (CID 131992276) is 2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide.
What is the SMILES notation for 2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide?
The canonical SMILES for 2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide is O=C(NCc1cc(F)cc(C(F)(F)F)c1)C1(C2CC2)CCC(N2CCC(c3ccc(F)cc3)CC2)CO1.
What is the InChIKey of 2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide?
The InChIKey is TZNBGWMRGYCTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F5N2O2/c29-23-5-1-19(2-6-23)20-8-11-35(12-9-20)25-7-10-27(37-17-25,21-3-4-21)26(36)34-16-18-13-22(28(31,32)33)15-24(30)14-18/h1-2,5-6,13-15,20-21,25H,3-4,7-12,16-17H2,(H,34,36).
What are the key properties of 2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide?
2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide has a molecular weight of 522.56 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide is sourced from PubChem (CID 131992276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).