4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C13H19F3N2O3 — CID 103900992

IUPAC4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCC1CCN(C(=O)C2CC(=O)N(CC(F)(F)F)C2)CC1O
InChIInChI=1S/C13H19F3N2O3/c1-8-2-3-17(6-10(8)19)12(21)9-4-11(20)18(5-9)7-13(14,15)16/h8-10,19H,2-7H2,1H3
InChIKeyIOKCEDWKPCQWAK-UHFFFAOYSA-N
MW308.30 g/mol
LogP0.63
Rot. Bonds2

About 4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 103900992) has the molecular formula C13H19F3N2O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID103900992
Molecular FormulaC13H19F3N2O3
Molecular Weight308.30 g/mol
Exact Mass308.13
IUPAC Name4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCC1CCN(C(=O)C2CC(=O)N(CC(F)(F)F)C2)CC1O
InChIInChI=1S/C13H19F3N2O3/c1-8-2-3-17(6-10(8)19)12(21)9-4-11(20)18(5-9)7-13(14,15)16/h8-10,19H,2-7H2,1H3
InChIKeyIOKCEDWKPCQWAK-UHFFFAOYSA-N
XLogP0.63
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-difluoro-1-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]butan-1-one
CID 126790798
4-(3-Hydroxypiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 43419634
4-(4-Hydroxypiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 43419658
4-[2-(Hydroxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 43428965
N-(2-hydroxypropyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55060626
4-[4-(Hydroxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 60957390
(3-Hydroxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63708238
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 65995101
Pyrrolidin-1-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methanone
CID 75507561
4-(4-Hydroxy-4-methylpiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 80702974
pyrrolidin-1-yl-[1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]piperidin-4-yl]methanone
CID 97833115
pyrrolidin-1-yl-[1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]piperidin-4-yl]methanone
CID 97833116

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 103900992) is 4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is CC1CCN(C(=O)C2CC(=O)N(CC(F)(F)F)C2)CC1O.
What is the InChIKey of 4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is IOKCEDWKPCQWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O3/c1-8-2-3-17(6-10(8)19)12(21)9-4-11(20)18(5-9)7-13(14,15)16/h8-10,19H,2-7H2,1H3.
What are the key properties of 4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 308.30 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 103900992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).