N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide

C17H23F3N2O — CID 16895442

IUPACN-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESCC(C)N1CCC(CNC(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C17H23F3N2O/c1-12(2)22-9-7-13(8-10-22)11-21-16(23)14-5-3-4-6-15(14)17(18,19)20/h3-6,12-13H,7-11H2,1-2H3,(H,21,23)
InChIKeyTUFQJGIODPWKGA-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.56
Rot. Bonds4

About N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide

N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide (PubChem CID 16895442) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide
PubChem CID16895442
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC NameN-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESCC(C)N1CCC(CNC(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C17H23F3N2O/c1-12(2)22-9-7-13(8-10-22)11-21-16(23)14-5-3-4-6-15(14)17(18,19)20/h3-6,12-13H,7-11H2,1-2H3,(H,21,23)
InChIKeyTUFQJGIODPWKGA-UHFFFAOYSA-N
XLogP3.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide (CID 16895442) is N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide is CC(C)N1CCC(CNC(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is TUFQJGIODPWKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c1-12(2)22-9-7-13(8-10-22)11-21-16(23)14-5-3-4-6-15(14)17(18,19)20/h3-6,12-13H,7-11H2,1-2H3,(H,21,23).
What are the key properties of N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide?
N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 328.38 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 16895442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).