N-benzyl-N-methyl-3-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide

C24H27F3N2O2 — CID 24793197

IUPACN-benzyl-N-methyl-3-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide
SMILESCN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C24H27F3N2O2/c1-28(17-19-7-3-2-4-8-19)22(30)12-11-18-13-15-29(16-14-18)23(31)20-9-5-6-10-21(20)24(25,26)27/h2-10,18H,11-17H2,1H3
InChIKeyUSSUNCJUOQZVSW-UHFFFAOYSA-N
MW432.49 g/mol
LogP5.00
Rot. Bonds6

About N-benzyl-N-methyl-3-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide

N-benzyl-N-methyl-3-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide (PubChem CID 24793197) has the molecular formula C24H27F3N2O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide
PubChem CID24793197
Molecular FormulaC24H27F3N2O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC NameN-benzyl-N-methyl-3-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide
SMILESCN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C24H27F3N2O2/c1-28(17-19-7-3-2-4-8-19)22(30)12-11-18-13-15-29(16-14-18)23(31)20-9-5-6-10-21(20)24(25,26)27/h2-10,18H,11-17H2,1H3
InChIKeyUSSUNCJUOQZVSW-UHFFFAOYSA-N
XLogP5.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide?
The IUPAC name of N-benzyl-N-methyl-3-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide (CID 24793197) is N-benzyl-N-methyl-3-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-benzyl-N-methyl-3-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-benzyl-N-methyl-3-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide is CN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-benzyl-N-methyl-3-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide?
The InChIKey is USSUNCJUOQZVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O2/c1-28(17-19-7-3-2-4-8-19)22(30)12-11-18-13-15-29(16-14-18)23(31)20-9-5-6-10-21(20)24(25,26)27/h2-10,18H,11-17H2,1H3.
What are the key properties of N-benzyl-N-methyl-3-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide?
N-benzyl-N-methyl-3-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide has a molecular weight of 432.49 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 24793197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).