(3S)-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C13H21F3N2O2 — CID 100850882

IUPAC(3S)-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1[C@@H](N2CCC[C@@H](CCO)C2)CCN1CC(F)(F)F
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)9-18-6-3-11(12(18)20)17-5-1-2-10(8-17)4-7-19/h10-11,19H,1-9H2/t10-,11-/m0/s1
InChIKeyCJJGWJOCNLQSCC-QWRGUYRKSA-N
MW294.32 g/mol
LogP1.24
Rot. Bonds4

About (3S)-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

(3S)-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 100850882) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is (3S)-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID100850882
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name(3S)-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1[C@@H](N2CCC[C@@H](CCO)C2)CCN1CC(F)(F)F
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)9-18-6-3-11(12(18)20)17-5-1-2-10(8-17)4-7-19/h10-11,19H,1-9H2/t10-,11-/m0/s1
InChIKeyCJJGWJOCNLQSCC-QWRGUYRKSA-N
XLogP1.24
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 71999950
2-[(4S)-4-(2,2-difluoropropyl)-2-hydroxypyrrolidin-1-yl]butanamide
CID 142081555
3-[(2S,4S)-2-(hydroxymethyl)-4-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 175150570
4-[2-(Hydroxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 43428965
3-[3-(2-Hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 56792531
2-[2-(3-Hydroxypropyl)pyrrolidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 71999951
(3R)-3-[(3R)-3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 95630201
(3R)-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 95630202
2-[(2R)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 97572401
2-[(2R)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 97572402
2-[(3R)-3-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 97572403
2-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 97572404

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of (3S)-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 100850882) is (3S)-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for (3S)-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is O=C1[C@@H](N2CCC[C@@H](CCO)C2)CCN1CC(F)(F)F.
What is the InChIKey of (3S)-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is CJJGWJOCNLQSCC-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c14-13(15,16)9-18-6-3-11(12(18)20)17-5-1-2-10(8-17)4-7-19/h10-11,19H,1-9H2/t10-,11-/m0/s1.
What are the key properties of (3S)-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
(3S)-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 294.32 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 100850882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).