2-methyl-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide

C21H23F3N2O — CID 59438436

IUPAC2-methyl-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide
SMILESCc1cc(C(F)(F)F)ccc1C(=O)NC1(c2ccccc2)CCCN(C)C1
InChIInChI=1S/C21H23F3N2O/c1-15-13-17(21(22,23)24)9-10-18(15)19(27)25-20(11-6-12-26(2)14-20)16-7-4-3-5-8-16/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,25,27)
InChIKeyLFYCGQDNDXHJED-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.36
Rot. Bonds3

About 2-methyl-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide

2-methyl-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 59438436) has the molecular formula C21H23F3N2O and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-methyl-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID59438436
Molecular FormulaC21H23F3N2O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name2-methyl-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide
SMILESCc1cc(C(F)(F)F)ccc1C(=O)NC1(c2ccccc2)CCCN(C)C1
InChIInChI=1S/C21H23F3N2O/c1-15-13-17(21(22,23)24)9-10-18(15)19(27)25-20(11-6-12-26(2)14-20)16-7-4-3-5-8-16/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,25,27)
InChIKeyLFYCGQDNDXHJED-UHFFFAOYSA-N
XLogP4.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-methyl-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide (CID 59438436) is 2-methyl-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-methyl-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-methyl-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide is Cc1cc(C(F)(F)F)ccc1C(=O)NC1(c2ccccc2)CCCN(C)C1.
What is the InChIKey of 2-methyl-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is LFYCGQDNDXHJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O/c1-15-13-17(21(22,23)24)9-10-18(15)19(27)25-20(11-6-12-26(2)14-20)16-7-4-3-5-8-16/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,25,27).
What are the key properties of 2-methyl-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide?
2-methyl-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 376.42 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 59438436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).