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

C22H28F3N3O3 — CID 23723737

IUPAC6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1C(F)(F)F)C1CCC(=O)N(CCCN2CCCC2=O)C1
InChIInChI=1S/C22H28F3N3O3/c23-22(24,25)18-6-2-1-5-16(18)10-11-26-21(31)17-8-9-20(30)28(15-17)14-4-13-27-12-3-7-19(27)29/h1-2,5-6,17H,3-4,7-15H2,(H,26,31)
InChIKeyAKEPPRZLVLKWKU-UHFFFAOYSA-N
MW439.48 g/mol
LogP2.62
Rot. Bonds8

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

6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide (PubChem CID 23723737) 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-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
PubChem CID23723737
Molecular FormulaC22H28F3N3O3
Molecular Weight439.48 g/mol
Exact Mass439.21
IUPAC Name6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1C(F)(F)F)C1CCC(=O)N(CCCN2CCCC2=O)C1
InChIInChI=1S/C22H28F3N3O3/c23-22(24,25)18-6-2-1-5-16(18)10-11-26-21(31)17-8-9-20(30)28(15-17)14-4-13-27-12-3-7-19(27)29/h1-2,5-6,17H,3-4,7-15H2,(H,26,31)
InChIKeyAKEPPRZLVLKWKU-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

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
The IUPAC name of 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide (CID 23723737) is 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
The canonical SMILES for 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide is O=C(NCCc1ccccc1C(F)(F)F)C1CCC(=O)N(CCCN2CCCC2=O)C1.
What is the InChIKey of 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
The InChIKey is AKEPPRZLVLKWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N3O3/c23-22(24,25)18-6-2-1-5-16(18)10-11-26-21(31)17-8-9-20(30)28(15-17)14-4-13-27-12-3-7-19(27)29/h1-2,5-6,17H,3-4,7-15H2,(H,26,31).
What are the key properties of 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-[2-(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-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 23723737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).