1-[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one

C20H28N2O2 — CID 84582403

IUPAC1-[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCOc1ccc2[nH]c(C)c(CC3CCCN3C(=O)C(C)(C)C)c2c1
InChIInChI=1S/C20H28N2O2/c1-13-16(17-12-15(24-5)8-9-18(17)21-13)11-14-7-6-10-22(14)19(23)20(2,3)4/h8-9,12,14,21H,6-7,10-11H2,1-5H3
InChIKeyAXZPRDBJYGIAMY-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.06
Rot. Bonds3

About 1-[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one

1-[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 84582403) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID84582403
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCOc1ccc2[nH]c(C)c(CC3CCCN3C(=O)C(C)(C)C)c2c1
InChIInChI=1S/C20H28N2O2/c1-13-16(17-12-15(24-5)8-9-18(17)21-13)11-14-7-6-10-22(14)19(23)20(2,3)4/h8-9,12,14,21H,6-7,10-11H2,1-5H3
InChIKeyAXZPRDBJYGIAMY-UHFFFAOYSA-N
XLogP4.06
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-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-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 84580768
1-[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 84580204
(5-methoxy-3-methyl-1H-indol-2-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 74238881
2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol
CID 84637812
N-cyclohexyl-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212089
5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)-1H-indole
CID 178091609
1-(4-acetylpiperazin-1-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 113212099
5-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-propan-2-yl-1H-indole
CID 178091784
3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methyl-1H-indole
CID 21313343
N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
CID 113086137
2-cyclopentyl-5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 178091739
5-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 178091795

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one (CID 84582403) is 1-[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one is COc1ccc2[nH]c(C)c(CC3CCCN3C(=O)C(C)(C)C)c2c1.
What is the InChIKey of 1-[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is AXZPRDBJYGIAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-13-16(17-12-15(24-5)8-9-18(17)21-13)11-14-7-6-10-22(14)19(23)20(2,3)4/h8-9,12,14,21H,6-7,10-11H2,1-5H3.
What are the key properties of 1-[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
1-[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 328.46 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 84582403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).