[1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-(4-methoxyphenyl)methanone

C20H19NO5 — CID 110394905

IUPAC[1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCCN2C(=O)c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C20H19NO5/c1-24-15-7-4-13(5-8-15)19(22)16-3-2-10-21(16)20(23)14-6-9-17-18(11-14)26-12-25-17/h4-9,11,16H,2-3,10,12H2,1H3
InChIKeyVCLRACDTNKGHKL-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.91
Rot. Bonds4

About [1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-(4-methoxyphenyl)methanone

[1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-(4-methoxyphenyl)methanone (PubChem CID 110394905) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is [1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-(4-methoxyphenyl)methanone
PubChem CID110394905
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name[1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCCN2C(=O)c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C20H19NO5/c1-24-15-7-4-13(5-8-15)19(22)16-3-2-10-21(16)20(23)14-6-9-17-18(11-14)26-12-25-17/h4-9,11,16H,2-3,10,12H2,1H3
InChIKeyVCLRACDTNKGHKL-UHFFFAOYSA-N
XLogP2.91
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-(4-methoxyphenyl)methanone 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-[2-(1,3-benzodioxole-5-carbonyl)pyrrolidin-1-yl]ethanone
CID 82121597
[1-(4-methoxybenzoyl)pyrrolidin-2-yl]-(4-methylphenyl)methanone
CID 110394976
[1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543515
(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 110867482
3-[[1-(1,3-benzodioxole-5-carbonyl)pyrrolidine-2-carbonyl]-methylamino]propanoic acid
CID 119233054
[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 9320558
(2R)-1-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)pyrrolidine-2-carboxylic acid
CID 51885517
1-(1,3-benzodioxole-5-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide
CID 119386716
1-[1-(1,3-benzodioxole-5-carbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 119167712
1-(1,3-benzodioxole-5-carbonyl)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyrrolidine-2-carboxamide
CID 127325677
(2S)-1-[4-(4-methoxyphenoxy)benzoyl]pyrrolidine-2-carboxamide
CID 46986685
1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone
CID 110369613

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-(4-methoxyphenyl)methanone (CID 110394905) is [1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)C2CCCN2C(=O)c2ccc3c(c2)OCO3)cc1.
What is the InChIKey of [1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-(4-methoxyphenyl)methanone?
The InChIKey is VCLRACDTNKGHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-24-15-7-4-13(5-8-15)19(22)16-3-2-10-21(16)20(23)14-6-9-17-18(11-14)26-12-25-17/h4-9,11,16H,2-3,10,12H2,1H3.
What are the key properties of [1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-(4-methoxyphenyl)methanone?
[1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-(4-methoxyphenyl)methanone has a molecular weight of 353.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 110394905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).