6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide

C22H28F3N3O3 — CID 23723258

IUPAC6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1ccc(C(F)(F)F)cc1)C1CCC(=O)N(CCCN2CCCC2=O)C1
InChIInChI=1S/C22H28F3N3O3/c23-22(24,25)18-7-4-16(5-8-18)10-11-26-21(31)17-6-9-20(30)28(15-17)14-2-13-27-12-1-3-19(27)29/h4-5,7-8,17H,1-3,6,9-15H2,(H,26,31)
InChIKeyWNPMWIDAIIIMBJ-UHFFFAOYSA-N
MW439.48 g/mol
LogP2.62
Rot. Bonds8

About 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide

6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide (PubChem CID 23723258) has the molecular formula C22H28F3N3O3 and a molecular weight of 439.48 g/mol. Its IUPAC name is 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
PubChem CID23723258
Molecular FormulaC22H28F3N3O3
Molecular Weight439.48 g/mol
Exact Mass439.21
IUPAC Name6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1ccc(C(F)(F)F)cc1)C1CCC(=O)N(CCCN2CCCC2=O)C1
InChIInChI=1S/C22H28F3N3O3/c23-22(24,25)18-7-4-16(5-8-18)10-11-26-21(31)17-6-9-20(30)28(15-17)14-2-13-27-12-1-3-19(27)29/h4-5,7-8,17H,1-3,6,9-15H2,(H,26,31)
InChIKeyWNPMWIDAIIIMBJ-UHFFFAOYSA-N
XLogP2.62
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
The IUPAC name of 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide (CID 23723258) is 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
The canonical SMILES for 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide is O=C(NCCc1ccc(C(F)(F)F)cc1)C1CCC(=O)N(CCCN2CCCC2=O)C1.
What is the InChIKey of 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
The InChIKey is WNPMWIDAIIIMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N3O3/c23-22(24,25)18-7-4-16(5-8-18)10-11-26-21(31)17-6-9-20(30)28(15-17)14-2-13-27-12-1-3-19(27)29/h4-5,7-8,17H,1-3,6,9-15H2,(H,26,31).
What are the key properties of 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 23723258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).