N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)propyl]-N-methylpiperidine-4-carboxamide

C25H27F7N2O2 — CID 87305620

IUPACN-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)propyl]-N-methylpiperidine-4-carboxamide
SMILESCN(CC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1)C(=O)C1CCNCC1
InChIInChI=1S/C25H27F7N2O2/c1-34(23(35)18-6-8-33-9-7-18)13-19(17-2-4-22(26)5-3-17)15-36-14-16-10-20(24(27,28)29)12-21(11-16)25(30,31)32/h2-5,10-12,18-19,33H,6-9,13-15H2,1H3
InChIKeyAMWZUZWPKGHWJS-UHFFFAOYSA-N
MW520.49 g/mol
LogP5.62
Rot. Bonds8

About N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)propyl]-N-methylpiperidine-4-carboxamide

N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)propyl]-N-methylpiperidine-4-carboxamide (PubChem CID 87305620) has the molecular formula C25H27F7N2O2 and a molecular weight of 520.49 g/mol. Its IUPAC name is N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)propyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)propyl]-N-methylpiperidine-4-carboxamide
PubChem CID87305620
Molecular FormulaC25H27F7N2O2
Molecular Weight520.49 g/mol
Exact Mass520.20
IUPAC NameN-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)propyl]-N-methylpiperidine-4-carboxamide
SMILESCN(CC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1)C(=O)C1CCNCC1
InChIInChI=1S/C25H27F7N2O2/c1-34(23(35)18-6-8-33-9-7-18)13-19(17-2-4-22(26)5-3-17)15-36-14-16-10-20(24(27,28)29)12-21(11-16)25(30,31)32/h2-5,10-12,18-19,33H,6-9,13-15H2,1H3
InChIKeyAMWZUZWPKGHWJS-UHFFFAOYSA-N
XLogP5.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.49
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)propyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)propyl]-N-methylpiperidine-4-carboxamide (CID 87305620) is N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)propyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)propyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)propyl]-N-methylpiperidine-4-carboxamide is CN(CC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1)C(=O)C1CCNCC1.
What is the InChIKey of N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)propyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is AMWZUZWPKGHWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F7N2O2/c1-34(23(35)18-6-8-33-9-7-18)13-19(17-2-4-22(26)5-3-17)15-36-14-16-10-20(24(27,28)29)12-21(11-16)25(30,31)32/h2-5,10-12,18-19,33H,6-9,13-15H2,1H3.
What are the key properties of N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)propyl]-N-methylpiperidine-4-carboxamide?
N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)propyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 520.49 g/mol, XLogP of 5.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)propyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 87305620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).