1-[[3-(trifluoromethyl)phenyl]methyl]-4-[3-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidin-2-one

C19H20F6N2O2 — CID 47039174

IUPAC1-[[3-(trifluoromethyl)phenyl]methyl]-4-[3-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCCC(C(F)(F)F)C2)CN1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H20F6N2O2/c20-18(21,22)14-4-1-3-12(7-14)9-27-10-13(8-16(27)28)17(29)26-6-2-5-15(11-26)19(23,24)25/h1,3-4,7,13,15H,2,5-6,8-11H2
InChIKeyPWTYOPZQWMOWKY-UHFFFAOYSA-N
MW422.37 g/mol
LogP3.85
Rot. Bonds3

About 1-[[3-(trifluoromethyl)phenyl]methyl]-4-[3-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidin-2-one

1-[[3-(trifluoromethyl)phenyl]methyl]-4-[3-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 47039174) has the molecular formula C19H20F6N2O2 and a molecular weight of 422.37 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)phenyl]methyl]-4-[3-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)phenyl]methyl]-4-[3-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID47039174
Molecular FormulaC19H20F6N2O2
Molecular Weight422.37 g/mol
Exact Mass422.14
IUPAC Name1-[[3-(trifluoromethyl)phenyl]methyl]-4-[3-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCCC(C(F)(F)F)C2)CN1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H20F6N2O2/c20-18(21,22)14-4-1-3-12(7-14)9-27-10-13(8-16(27)28)17(29)26-6-2-5-15(11-26)19(23,24)25/h1,3-4,7,13,15H,2,5-6,8-11H2
InChIKeyPWTYOPZQWMOWKY-UHFFFAOYSA-N
XLogP3.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethyl)phenyl]methyl]-4-[3-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-[[3-(trifluoromethyl)phenyl]methyl]-4-[3-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 47039174) is 1-[[3-(trifluoromethyl)phenyl]methyl]-4-[3-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[3-(trifluoromethyl)phenyl]methyl]-4-[3-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[3-(trifluoromethyl)phenyl]methyl]-4-[3-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidin-2-one is O=C1CC(C(=O)N2CCCC(C(F)(F)F)C2)CN1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[[3-(trifluoromethyl)phenyl]methyl]-4-[3-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is PWTYOPZQWMOWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F6N2O2/c20-18(21,22)14-4-1-3-12(7-14)9-27-10-13(8-16(27)28)17(29)26-6-2-5-15(11-26)19(23,24)25/h1,3-4,7,13,15H,2,5-6,8-11H2.
What are the key properties of 1-[[3-(trifluoromethyl)phenyl]methyl]-4-[3-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
1-[[3-(trifluoromethyl)phenyl]methyl]-4-[3-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 422.37 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(trifluoromethyl)phenyl]methyl]-4-[3-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 47039174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).