2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone

C17H22N2O — CID 62047169

IUPAC2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone
SMILESCC1CCCN(C(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C17H22N2O/c1-13-5-4-9-19(10-8-13)17(20)11-14-12-18-16-7-3-2-6-15(14)16/h2-3,6-7,12-13,18H,4-5,8-11H2,1H3
InChIKeyHUMLDGUQMGDBFZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.36
Rot. Bonds2

About 2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone

2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone (PubChem CID 62047169) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone
PubChem CID62047169
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone
SMILESCC1CCCN(C(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C17H22N2O/c1-13-5-4-9-19(10-8-13)17(20)11-14-12-18-16-7-3-2-6-15(14)16/h2-3,6-7,12-13,18H,4-5,8-11H2,1H3
InChIKeyHUMLDGUQMGDBFZ-UHFFFAOYSA-N
XLogP3.36
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone 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-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 95726890
1-(4-aminoazepan-1-yl)-2-(1H-indol-3-yl)ethanone
CID 56912314
2-(1H-indol-3-yl)-1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053939
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 110806405
1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 28706781
(3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 40816462
1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 79036611
2-(1H-indol-3-yl)-1-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanone
CID 95712165
1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 43397905
1-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one
CID 126855901
N-ethyl-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 51078734
2-(1H-indol-3-yl)-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 113003641

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone?
The IUPAC name of 2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone (CID 62047169) is 2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone.
What is the SMILES notation for 2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone?
The canonical SMILES for 2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone is CC1CCCN(C(=O)Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone?
The InChIKey is HUMLDGUQMGDBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13-5-4-9-19(10-8-13)17(20)11-14-12-18-16-7-3-2-6-15(14)16/h2-3,6-7,12-13,18H,4-5,8-11H2,1H3.
What are the key properties of 2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone?
2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone has a molecular weight of 270.38 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone is sourced from PubChem (CID 62047169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).