2-[3,5-dibenzoyl-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-N,N-dimethylacetamide

C30H29F3N2O3 — CID 68883461

IUPAC2-[3,5-dibenzoyl-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CC(C(=O)c2ccccc2)C(c2ccccc2C(F)(F)F)C(C(=O)c2ccccc2)C1
InChIInChI=1S/C30H29F3N2O3/c1-34(2)26(36)19-35-17-23(28(37)20-11-5-3-6-12-20)27(22-15-9-10-16-25(22)30(31,32)33)24(18-35)29(38)21-13-7-4-8-14-21/h3-16,23-24,27H,17-19H2,1-2H3
InChIKeyXMMUDVQVWSWXAT-UHFFFAOYSA-N
MW522.57 g/mol
LogP5.19
Rot. Bonds7

About 2-[3,5-dibenzoyl-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-N,N-dimethylacetamide

2-[3,5-dibenzoyl-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 68883461) has the molecular formula C30H29F3N2O3 and a molecular weight of 522.57 g/mol. Its IUPAC name is 2-[3,5-dibenzoyl-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3,5-dibenzoyl-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID68883461
Molecular FormulaC30H29F3N2O3
Molecular Weight522.57 g/mol
Exact Mass522.21
IUPAC Name2-[3,5-dibenzoyl-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CC(C(=O)c2ccccc2)C(c2ccccc2C(F)(F)F)C(C(=O)c2ccccc2)C1
InChIInChI=1S/C30H29F3N2O3/c1-34(2)26(36)19-35-17-23(28(37)20-11-5-3-6-12-20)27(22-15-9-10-16-25(22)30(31,32)33)24(18-35)29(38)21-13-7-4-8-14-21/h3-16,23-24,27H,17-19H2,1-2H3
InChIKeyXMMUDVQVWSWXAT-UHFFFAOYSA-N
XLogP5.19
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.57
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dibenzoyl-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[3,5-dibenzoyl-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-N,N-dimethylacetamide (CID 68883461) is 2-[3,5-dibenzoyl-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3,5-dibenzoyl-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3,5-dibenzoyl-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CC(C(=O)c2ccccc2)C(c2ccccc2C(F)(F)F)C(C(=O)c2ccccc2)C1.
What is the InChIKey of 2-[3,5-dibenzoyl-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is XMMUDVQVWSWXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F3N2O3/c1-34(2)26(36)19-35-17-23(28(37)20-11-5-3-6-12-20)27(22-15-9-10-16-25(22)30(31,32)33)24(18-35)29(38)21-13-7-4-8-14-21/h3-16,23-24,27H,17-19H2,1-2H3.
What are the key properties of 2-[3,5-dibenzoyl-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-N,N-dimethylacetamide?
2-[3,5-dibenzoyl-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 522.57 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dibenzoyl-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 68883461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).