[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]-pyrrolidin-1-ylmethanone

C20H27N3O2 — CID 69283271

IUPAC[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
SMILESCN1CCCC1CCOc1ccc2[nH]c(C(=O)N3CCCC3)cc2c1
InChIInChI=1S/C20H27N3O2/c1-22-9-4-5-16(22)8-12-25-17-6-7-18-15(13-17)14-19(21-18)20(24)23-10-2-3-11-23/h6-7,13-14,16,21H,2-5,8-12H2,1H3
InChIKeyZPHZGUFFCAEQQB-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.27
Rot. Bonds5

About [5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]-pyrrolidin-1-ylmethanone

[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 69283271) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is [5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID69283271
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
SMILESCN1CCCC1CCOc1ccc2[nH]c(C(=O)N3CCCC3)cc2c1
InChIInChI=1S/C20H27N3O2/c1-22-9-4-5-16(22)8-12-25-17-6-7-18-15(13-17)14-19(21-18)20(24)23-10-2-3-11-23/h6-7,13-14,16,21H,2-5,8-12H2,1H3
InChIKeyZPHZGUFFCAEQQB-UHFFFAOYSA-N
XLogP3.27
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(hydroxymethyl)piperidin-1-yl]-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone
CID 69280304
(2,6-dimethylmorpholin-4-yl)-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone
CID 69282920
5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-N-propyl-1H-indole-2-carboxamide
CID 69282619
(4,4-difluoropiperidin-1-yl)-[5-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-1H-indol-2-yl]methanone
CID 69283237
1H-indol-2-yl-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53037973
3,4-dihydro-1H-isoquinolin-2-yl-[6-[2-(1-methylpiperidin-2-yl)ethoxy]naphthalen-2-yl]methanone
CID 69073873
3-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoic acid
CID 102823660
[5-(3-chloropropoxy)-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 69282953
1-(6-butoxy-1H-indole-2-carbonyl)piperidine-3-carboxamide
CID 71895157
1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone
CID 61100979
1-[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone
CID 79168162
N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indole-2-carboxamide
CID 59451559

Frequently Asked Questions

What is the IUPAC name of [5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]-pyrrolidin-1-ylmethanone (CID 69283271) is [5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]-pyrrolidin-1-ylmethanone is CN1CCCC1CCOc1ccc2[nH]c(C(=O)N3CCCC3)cc2c1.
What is the InChIKey of [5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ZPHZGUFFCAEQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-22-9-4-5-16(22)8-12-25-17-6-7-18-15(13-17)14-19(21-18)20(24)23-10-2-3-11-23/h6-7,13-14,16,21H,2-5,8-12H2,1H3.
What are the key properties of [5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]-pyrrolidin-1-ylmethanone?
[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 341.45 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 69283271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).