4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-methyl-3-phenylpiperidine-1-carboxamide

C22H22F6N2O2 — CID 23080212

IUPAC4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-methyl-3-phenylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(c2ccccc2)C1
InChIInChI=1S/C22H22F6N2O2/c1-29-20(31)30-8-7-19(18(12-30)15-5-3-2-4-6-15)32-13-14-9-16(21(23,24)25)11-17(10-14)22(26,27)28/h2-6,9-11,18-19H,7-8,12-13H2,1H3,(H,29,31)
InChIKeyQYPJUIOJOUOGAG-UHFFFAOYSA-N
MW460.42 g/mol
LogP5.44
Rot. Bonds4

About 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-methyl-3-phenylpiperidine-1-carboxamide

4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-methyl-3-phenylpiperidine-1-carboxamide (PubChem CID 23080212) has the molecular formula C22H22F6N2O2 and a molecular weight of 460.42 g/mol. Its IUPAC name is 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-methyl-3-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-methyl-3-phenylpiperidine-1-carboxamide
PubChem CID23080212
Molecular FormulaC22H22F6N2O2
Molecular Weight460.42 g/mol
Exact Mass460.16
IUPAC Name4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-methyl-3-phenylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(c2ccccc2)C1
InChIInChI=1S/C22H22F6N2O2/c1-29-20(31)30-8-7-19(18(12-30)15-5-3-2-4-6-15)32-13-14-9-16(21(23,24)25)11-17(10-14)22(26,27)28/h2-6,9-11,18-19H,7-8,12-13H2,1H3,(H,29,31)
InChIKeyQYPJUIOJOUOGAG-UHFFFAOYSA-N
XLogP5.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.42
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-methyl-3-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-methyl-3-phenylpiperidine-1-carboxamide (CID 23080212) is 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-methyl-3-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-methyl-3-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-methyl-3-phenylpiperidine-1-carboxamide is CNC(=O)N1CCC(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(c2ccccc2)C1.
What is the InChIKey of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-methyl-3-phenylpiperidine-1-carboxamide?
The InChIKey is QYPJUIOJOUOGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F6N2O2/c1-29-20(31)30-8-7-19(18(12-30)15-5-3-2-4-6-15)32-13-14-9-16(21(23,24)25)11-17(10-14)22(26,27)28/h2-6,9-11,18-19H,7-8,12-13H2,1H3,(H,29,31).
What are the key properties of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-methyl-3-phenylpiperidine-1-carboxamide?
4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-methyl-3-phenylpiperidine-1-carboxamide has a molecular weight of 460.42 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-methyl-3-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 23080212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).