(4R)-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one

C18H24N2O4 — CID 94097508

IUPAC(4R)-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCOc1ccc([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(C)C2)c(OC)c1
InChIInChI=1S/C18H24N2O4/c1-19-11-12(9-17(19)21)18(22)20-8-4-5-15(20)14-7-6-13(23-2)10-16(14)24-3/h6-7,10,12,15H,4-5,8-9,11H2,1-3H3/t12-,15-/m1/s1
InChIKeyBMWGETNYVKHLOR-IUODEOHRSA-N
MW332.40 g/mol
LogP1.85
Rot. Bonds4

About (4R)-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one

(4R)-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one (PubChem CID 94097508) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is (4R)-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one
PubChem CID94097508
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name(4R)-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCOc1ccc([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(C)C2)c(OC)c1
InChIInChI=1S/C18H24N2O4/c1-19-11-12(9-17(19)21)18(22)20-8-4-5-15(20)14-7-6-13(23-2)10-16(14)24-3/h6-7,10,12,15H,4-5,8-9,11H2,1-3H3/t12-,15-/m1/s1
InChIKeyBMWGETNYVKHLOR-IUODEOHRSA-N
XLogP1.85
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-1-cyclopropyl-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 92594763
4-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
CID 46957915
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(2-phenylethyl)piperidin-3-yl]methanone
CID 122134394
ethyl 4-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 42920226
4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one
CID 55543629
(3R)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 40919247
[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
CID 92594770
[1-(benzenesulfonyl)piperidin-4-yl]-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 25498568
[1-(benzenesulfonyl)piperidin-4-yl]-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 25498564
(3,4-dimethoxyphenyl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 46636697
[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 51595974

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one (CID 94097508) is (4R)-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one is COc1ccc([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(C)C2)c(OC)c1.
What is the InChIKey of (4R)-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The InChIKey is BMWGETNYVKHLOR-IUODEOHRSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-19-11-12(9-17(19)21)18(22)20-8-4-5-15(20)14-7-6-13(23-2)10-16(14)24-3/h6-7,10,12,15H,4-5,8-9,11H2,1-3H3/t12-,15-/m1/s1.
What are the key properties of (4R)-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one?
(4R)-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one has a molecular weight of 332.40 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 94097508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).