2-methoxy-N-(3-phenyl-1-propan-2-ylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide

C24H26F6N2O2 — CID 59438429

IUPAC2-methoxy-N-(3-phenyl-1-propan-2-ylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)NC1(c2ccccc2)CCCN(C(C)C)C1
InChIInChI=1S/C24H26F6N2O2/c1-15(2)32-11-7-10-22(14-32,16-8-5-4-6-9-16)31-21(33)20-18(24(28,29)30)12-17(23(25,26)27)13-19(20)34-3/h4-6,8-9,12-13,15H,7,10-11,14H2,1-3H3,(H,31,33)
InChIKeyYNWJRJQSOJHFAQ-UHFFFAOYSA-N
MW488.47 g/mol
LogP5.86
Rot. Bonds5

About 2-methoxy-N-(3-phenyl-1-propan-2-ylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide

2-methoxy-N-(3-phenyl-1-propan-2-ylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide (PubChem CID 59438429) has the molecular formula C24H26F6N2O2 and a molecular weight of 488.47 g/mol. Its IUPAC name is 2-methoxy-N-(3-phenyl-1-propan-2-ylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(3-phenyl-1-propan-2-ylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide
PubChem CID59438429
Molecular FormulaC24H26F6N2O2
Molecular Weight488.47 g/mol
Exact Mass488.19
IUPAC Name2-methoxy-N-(3-phenyl-1-propan-2-ylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)NC1(c2ccccc2)CCCN(C(C)C)C1
InChIInChI=1S/C24H26F6N2O2/c1-15(2)32-11-7-10-22(14-32,16-8-5-4-6-9-16)31-21(33)20-18(24(28,29)30)12-17(23(25,26)27)13-19(20)34-3/h4-6,8-9,12-13,15H,7,10-11,14H2,1-3H3,(H,31,33)
InChIKeyYNWJRJQSOJHFAQ-UHFFFAOYSA-N
XLogP5.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.47
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-phenyl-1-propan-2-ylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide?
The IUPAC name of 2-methoxy-N-(3-phenyl-1-propan-2-ylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide (CID 59438429) is 2-methoxy-N-(3-phenyl-1-propan-2-ylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide.
What is the SMILES notation for 2-methoxy-N-(3-phenyl-1-propan-2-ylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide?
The canonical SMILES for 2-methoxy-N-(3-phenyl-1-propan-2-ylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide is COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)NC1(c2ccccc2)CCCN(C(C)C)C1.
What is the InChIKey of 2-methoxy-N-(3-phenyl-1-propan-2-ylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide?
The InChIKey is YNWJRJQSOJHFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F6N2O2/c1-15(2)32-11-7-10-22(14-32,16-8-5-4-6-9-16)31-21(33)20-18(24(28,29)30)12-17(23(25,26)27)13-19(20)34-3/h4-6,8-9,12-13,15H,7,10-11,14H2,1-3H3,(H,31,33).
What are the key properties of 2-methoxy-N-(3-phenyl-1-propan-2-ylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide?
2-methoxy-N-(3-phenyl-1-propan-2-ylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide has a molecular weight of 488.47 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3-phenyl-1-propan-2-ylpiperidin-3-yl)-4,6-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 59438429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).