1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol

C21H31N3O — CID 70762800

IUPAC1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
SMILESCCn1ccc2ccc(CN3CCC(O)(CN4CCCCC4)C3)cc21
InChIInChI=1S/C21H31N3O/c1-2-24-12-8-19-7-6-18(14-20(19)24)15-23-13-9-21(25,17-23)16-22-10-4-3-5-11-22/h6-8,12,14,25H,2-5,9-11,13,15-17H2,1H3
InChIKeyQPZXEYUZIIMYGA-UHFFFAOYSA-N
MW341.50 g/mol
LogP3.08
Rot. Bonds5

About 1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol

1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol (PubChem CID 70762800) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is 1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
PubChem CID70762800
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
SMILESCCn1ccc2ccc(CN3CCC(O)(CN4CCCCC4)C3)cc21
InChIInChI=1S/C21H31N3O/c1-2-24-12-8-19-7-6-18(14-20(19)24)15-23-13-9-21(25,17-23)16-22-10-4-3-5-11-22/h6-8,12,14,25H,2-5,9-11,13,15-17H2,1H3
InChIKeyQPZXEYUZIIMYGA-UHFFFAOYSA-N
XLogP3.08
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol 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

4-[(1-ethylindol-6-yl)methyl]-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane
CID 56747101
1-(1-benzofuran-5-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
CID 70707879
1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
CID 70770688
1-[2-[(1-ethylindol-6-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]oct-6-en-7-yl]piperidine-4-carboxylic acid
CID 118898021
3-(morpholin-4-ylmethyl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol
CID 132771184
1-ethyl-5-[[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]indole
CID 99938175
1-[(2,3-difluorophenyl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
CID 70727854
(3S)-3-ethyl-1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidin-3-ol
CID 99935983
6-[4-[(1-ethylindol-6-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 56917221
7-(cyclopropylmethyl)-2-[(1-ethylindol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72894242
7-[1-[(1-ethylindol-6-yl)methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 118471481
1-[(3-chloro-5-fluoro-4-methoxyphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
CID 70713874

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of 1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol (CID 70762800) is 1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol is CCn1ccc2ccc(CN3CCC(O)(CN4CCCCC4)C3)cc21.
What is the InChIKey of 1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol?
The InChIKey is QPZXEYUZIIMYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c1-2-24-12-8-19-7-6-18(14-20(19)24)15-23-13-9-21(25,17-23)16-22-10-4-3-5-11-22/h6-8,12,14,25H,2-5,9-11,13,15-17H2,1H3.
What are the key properties of 1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol?
1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol has a molecular weight of 341.50 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 70762800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).