(4S)-4-[(3R)-3-(methoxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C14H21F3N2O3 — CID 96534780

IUPAC(4S)-4-[(3R)-3-(methoxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCOC[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C1
InChIInChI=1S/C14H21F3N2O3/c1-22-8-10-3-2-4-18(6-10)13(21)11-5-12(20)19(7-11)9-14(15,16)17/h10-11H,2-9H2,1H3/t10-,11+/m1/s1
InChIKeyYXGPLCUEAWMXIS-MNOVXSKESA-N
MW322.33 g/mol
LogP1.28
Rot. Bonds4

About (4S)-4-[(3R)-3-(methoxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

(4S)-4-[(3R)-3-(methoxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 96534780) has the molecular formula C14H21F3N2O3 and a molecular weight of 322.33 g/mol. Its IUPAC name is (4S)-4-[(3R)-3-(methoxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(3R)-3-(methoxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID96534780
Molecular FormulaC14H21F3N2O3
Molecular Weight322.33 g/mol
Exact Mass322.15
IUPAC Name(4S)-4-[(3R)-3-(methoxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCOC[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C1
InChIInChI=1S/C14H21F3N2O3/c1-22-8-10-3-2-4-18(6-10)13(21)11-5-12(20)19(7-11)9-14(15,16)17/h10-11H,2-9H2,1H3/t10-,11+/m1/s1
InChIKeyYXGPLCUEAWMXIS-MNOVXSKESA-N
XLogP1.28
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-4-[(3R)-3-(methoxymethyl)piperidine-1-carbonyl]-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

1-[3-(Difluoromethoxymethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 164603912
2-Methyl-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]propan-1-one
CID 170759213
4-[3-(Hydroxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 43430785
N-methyl-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63719753
4-[3-(Methoxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 72015756
(4R)-4-[(3R)-3-(methoxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 96534778
(4R)-4-[(3S)-3-(methoxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 96534779
(4S)-4-[(3S)-3-(methoxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 96534782
[3-(Methoxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 106586804
N-(5-hydroxypentyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 107202630
2,2,2-Trifluoro-1-[4-[3-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110869914
4-[3-(1-Hydroxyethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 112378027

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(3R)-3-(methoxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-[(3R)-3-(methoxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 96534780) is (4S)-4-[(3R)-3-(methoxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(3R)-3-(methoxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(3R)-3-(methoxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is COC[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C1.
What is the InChIKey of (4S)-4-[(3R)-3-(methoxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is YXGPLCUEAWMXIS-MNOVXSKESA-N. The full InChI is InChI=1S/C14H21F3N2O3/c1-22-8-10-3-2-4-18(6-10)13(21)11-5-12(20)19(7-11)9-14(15,16)17/h10-11H,2-9H2,1H3/t10-,11+/m1/s1.
What are the key properties of (4S)-4-[(3R)-3-(methoxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
(4S)-4-[(3R)-3-(methoxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 322.33 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(3R)-3-(methoxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 96534780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).