(5-methoxy-3-methyl-1H-indol-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone

C21H22N2O3 — CID 119062680

IUPAC(5-methoxy-3-methyl-1H-indol-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone
SMILESCOc1ccc2[nH]c(C(=O)N3CCC(Oc4ccccc4)C3)c(C)c2c1
InChIInChI=1S/C21H22N2O3/c1-14-18-12-16(25-2)8-9-19(18)22-20(14)21(24)23-11-10-17(13-23)26-15-6-4-3-5-7-15/h3-9,12,17,22H,10-11,13H2,1-2H3
InChIKeyIPFHQEBNKPWZJH-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.78
Rot. Bonds4

About (5-methoxy-3-methyl-1H-indol-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone

(5-methoxy-3-methyl-1H-indol-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone (PubChem CID 119062680) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is (5-methoxy-3-methyl-1H-indol-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-methoxy-3-methyl-1H-indol-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone
PubChem CID119062680
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name(5-methoxy-3-methyl-1H-indol-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone
SMILESCOc1ccc2[nH]c(C(=O)N3CCC(Oc4ccccc4)C3)c(C)c2c1
InChIInChI=1S/C21H22N2O3/c1-14-18-12-16(25-2)8-9-19(18)22-20(14)21(24)23-11-10-17(13-23)26-15-6-4-3-5-7-15/h3-9,12,17,22H,10-11,13H2,1-2H3
InChIKeyIPFHQEBNKPWZJH-UHFFFAOYSA-N
XLogP3.78
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze (5-methoxy-3-methyl-1H-indol-2-yl)-(3-phenoxypyrrolidin-1-yl)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

(5-methoxy-3-methyl-1H-indol-2-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone
CID 74244391
[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-methoxy-3-methyl-1H-indol-2-yl)methanone
CID 56740155
[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-(5-methoxy-3-methyl-1H-indol-2-yl)methanone
CID 155912601
1'-(5-methoxy-3-methyl-1H-indole-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 68811952
1-[2,4-dimethyl-5-(4-phenoxypiperidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 47071181
methyl 3-phenoxypyrrolidine-1-carboxylate
CID 58171478
(5-methoxy-3-methyl-1H-indol-2-yl)-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 92626259
(5-methoxy-3-methyl-1H-indol-2-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 74238881
(5-methyl-1-benzofuran-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone
CID 119061394
(5-fluoro-1,3-dimethylindol-2-yl)-[(3S)-3-phenoxypyrrolidin-1-yl]methanone
CID 126450498
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
(1-hydroxypyridin-1-ium-3-yl)-[(3R)-3-(4-methoxyphenoxy)pyrrolidin-1-yl]methanone
CID 90138028

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-3-methyl-1H-indol-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone?
The IUPAC name of (5-methoxy-3-methyl-1H-indol-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone (CID 119062680) is (5-methoxy-3-methyl-1H-indol-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-methoxy-3-methyl-1H-indol-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone?
The canonical SMILES for (5-methoxy-3-methyl-1H-indol-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone is COc1ccc2[nH]c(C(=O)N3CCC(Oc4ccccc4)C3)c(C)c2c1.
What is the InChIKey of (5-methoxy-3-methyl-1H-indol-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone?
The InChIKey is IPFHQEBNKPWZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14-18-12-16(25-2)8-9-19(18)22-20(14)21(24)23-11-10-17(13-23)26-15-6-4-3-5-7-15/h3-9,12,17,22H,10-11,13H2,1-2H3.
What are the key properties of (5-methoxy-3-methyl-1H-indol-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone?
(5-methoxy-3-methyl-1H-indol-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone has a molecular weight of 350.42 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-3-methyl-1H-indol-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 119062680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).