1-(azepan-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone

C17H22N2O2 — CID 110856311

IUPAC1-(azepan-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone
SMILESCOc1cccc2c(CC(=O)N3CCCCCC3)c[nH]c12
InChIInChI=1S/C17H22N2O2/c1-21-15-8-6-7-14-13(12-18-17(14)15)11-16(20)19-9-4-2-3-5-10-19/h6-8,12,18H,2-5,9-11H2,1H3
InChIKeyOBQOKWXGXIEJFR-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.12
Rot. Bonds3

About 1-(azepan-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone

1-(azepan-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone (PubChem CID 110856311) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone
PubChem CID110856311
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(azepan-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone
SMILESCOc1cccc2c(CC(=O)N3CCCCCC3)c[nH]c12
InChIInChI=1S/C17H22N2O2/c1-21-15-8-6-7-14-13(12-18-17(14)15)11-16(20)19-9-4-2-3-5-10-19/h6-8,12,18H,2-5,9-11H2,1H3
InChIKeyOBQOKWXGXIEJFR-UHFFFAOYSA-N
XLogP3.12
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylpiperazin-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone
CID 110849938
N-cyclopentyl-2-(7-methoxy-1H-indol-3-yl)acetamide
CID 110848702
(2S)-1-(7-methoxy-1H-indol-3-yl)-4-methyl-2-(propan-2-ylamino)pentan-3-one
CID 177080560
2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone
CID 30147943
2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone
CID 60667529
1-(azepan-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethanone
CID 110856306
3-(benzenesulfonylmethyl)-7-methoxy-1H-indole
CID 146164758
cyclobutyl-(7-methoxy-1H-indol-3-yl)methanone
CID 82277622
2-(1H-indol-3-yl)-1-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 78890809
2-(4-methoxy-1H-indol-3-yl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone
CID 136521359
2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 30147939
2-(7-methoxy-1H-indol-3-yl)acetonitrile
CID 604224

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone (CID 110856311) is 1-(azepan-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone is COc1cccc2c(CC(=O)N3CCCCCC3)c[nH]c12.
What is the InChIKey of 1-(azepan-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone?
The InChIKey is OBQOKWXGXIEJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-21-15-8-6-7-14-13(12-18-17(14)15)11-16(20)19-9-4-2-3-5-10-19/h6-8,12,18H,2-5,9-11H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone?
1-(azepan-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone has a molecular weight of 286.38 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone is sourced from PubChem (CID 110856311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).