4-(4-methylpiperidine-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one

C18H21F3N2O2 — CID 113188524

IUPAC4-(4-methylpiperidine-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCC1CCN(C(=O)C2CC(=O)N(c3ccccc3C(F)(F)F)C2)CC1
InChIInChI=1S/C18H21F3N2O2/c1-12-6-8-22(9-7-12)17(25)13-10-16(24)23(11-13)15-5-3-2-4-14(15)18(19,20)21/h2-5,12-13H,6-11H2,1H3
InChIKeyOCSPZFAHVPDMMV-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.32
Rot. Bonds2

About 4-(4-methylpiperidine-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one

4-(4-methylpiperidine-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 113188524) has the molecular formula C18H21F3N2O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 4-(4-methylpiperidine-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-methylpiperidine-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID113188524
Molecular FormulaC18H21F3N2O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC Name4-(4-methylpiperidine-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCC1CCN(C(=O)C2CC(=O)N(c3ccccc3C(F)(F)F)C2)CC1
InChIInChI=1S/C18H21F3N2O2/c1-12-6-8-22(9-7-12)17(25)13-10-16(24)23(11-13)15-5-3-2-4-14(15)18(19,20)21/h2-5,12-13H,6-11H2,1H3
InChIKeyOCSPZFAHVPDMMV-UHFFFAOYSA-N
XLogP3.32
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 113188614
4-(2-ethylpiperidine-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 113188568
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 113188578
4-(4-methylpiperidine-1-carbonyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidin-2-one
CID 113189924
1-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 17080667
N-cycloheptyl-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188564
(4S)-4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 7438163
1-[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylic acid
CID 94830827
1-(2-chlorophenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 112767128
1-[(3R)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 32978569
1-(2-ethylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119562077
4-(3-methylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 113190000

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidine-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-(4-methylpiperidine-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 113188524) is 4-(4-methylpiperidine-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(4-methylpiperidine-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-(4-methylpiperidine-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one is CC1CCN(C(=O)C2CC(=O)N(c3ccccc3C(F)(F)F)C2)CC1.
What is the InChIKey of 4-(4-methylpiperidine-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is OCSPZFAHVPDMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O2/c1-12-6-8-22(9-7-12)17(25)13-10-16(24)23(11-13)15-5-3-2-4-14(15)18(19,20)21/h2-5,12-13H,6-11H2,1H3.
What are the key properties of 4-(4-methylpiperidine-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one?
4-(4-methylpiperidine-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 354.37 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidine-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 113188524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).