2-methoxy-N-(1-methyl-3-phenylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide

C22H22F6N2O2 — CID 46849923

IUPAC2-methoxy-N-(1-methyl-3-phenylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)NC1(c2ccccc2)CCCN(C)C1
InChIInChI=1S/C22H22F6N2O2/c1-30-10-6-9-20(13-30,14-7-4-3-5-8-14)29-19(31)18-16(22(26,27)28)11-15(21(23,24)25)12-17(18)32-2/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3,(H,29,31)
InChIKeyITEJBWKYJBAOCM-UHFFFAOYSA-N
MW460.42 g/mol
LogP5.08
Rot. Bonds4

About 2-methoxy-N-(1-methyl-3-phenylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide

2-methoxy-N-(1-methyl-3-phenylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide (PubChem CID 46849923) has the molecular formula C22H22F6N2O2 and a molecular weight of 460.42 g/mol. Its IUPAC name is 2-methoxy-N-(1-methyl-3-phenylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(1-methyl-3-phenylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide
PubChem CID46849923
Molecular FormulaC22H22F6N2O2
Molecular Weight460.42 g/mol
Exact Mass460.16
IUPAC Name2-methoxy-N-(1-methyl-3-phenylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)NC1(c2ccccc2)CCCN(C)C1
InChIInChI=1S/C22H22F6N2O2/c1-30-10-6-9-20(13-30,14-7-4-3-5-8-14)29-19(31)18-16(22(26,27)28)11-15(21(23,24)25)12-17(18)32-2/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3,(H,29,31)
InChIKeyITEJBWKYJBAOCM-UHFFFAOYSA-N
XLogP5.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.42
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1-methyl-3-phenylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide?
The IUPAC name of 2-methoxy-N-(1-methyl-3-phenylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide (CID 46849923) is 2-methoxy-N-(1-methyl-3-phenylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide.
What is the SMILES notation for 2-methoxy-N-(1-methyl-3-phenylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide?
The canonical SMILES for 2-methoxy-N-(1-methyl-3-phenylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide is COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)NC1(c2ccccc2)CCCN(C)C1.
What is the InChIKey of 2-methoxy-N-(1-methyl-3-phenylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide?
The InChIKey is ITEJBWKYJBAOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F6N2O2/c1-30-10-6-9-20(13-30,14-7-4-3-5-8-14)29-19(31)18-16(22(26,27)28)11-15(21(23,24)25)12-17(18)32-2/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3,(H,29,31).
What are the key properties of 2-methoxy-N-(1-methyl-3-phenylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide?
2-methoxy-N-(1-methyl-3-phenylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide has a molecular weight of 460.42 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(1-methyl-3-phenylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 46849923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).