1-[3-(azepane-1-carbonyl)indol-1-yl]ethanone

C17H20N2O2 — CID 113207907

IUPAC1-[3-(azepane-1-carbonyl)indol-1-yl]ethanone
SMILESCC(=O)n1cc(C(=O)N2CCCCCC2)c2ccccc21
InChIInChI=1S/C17H20N2O2/c1-13(20)19-12-15(14-8-4-5-9-16(14)19)17(21)18-10-6-2-3-7-11-18/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3
InChIKeyJYDBSNGRIKNMHL-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.32
Rot. Bonds1

About 1-[3-(azepane-1-carbonyl)indol-1-yl]ethanone

1-[3-(azepane-1-carbonyl)indol-1-yl]ethanone (PubChem CID 113207907) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[3-(azepane-1-carbonyl)indol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(azepane-1-carbonyl)indol-1-yl]ethanone
PubChem CID113207907
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-[3-(azepane-1-carbonyl)indol-1-yl]ethanone
SMILESCC(=O)n1cc(C(=O)N2CCCCCC2)c2ccccc21
InChIInChI=1S/C17H20N2O2/c1-13(20)19-12-15(14-8-4-5-9-16(14)19)17(21)18-10-6-2-3-7-11-18/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3
InChIKeyJYDBSNGRIKNMHL-UHFFFAOYSA-N
XLogP3.32
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(azepane-1-carbonyl)indol-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-[3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone
CID 113207871
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
1-[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805536
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
1-[6-chloro-3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone
CID 113213107
1-[1-(cyclohexanecarbonyl)indol-3-yl]ethanone
CID 3715013
1-[3-(piperidine-1-carbonyl)indazol-1-yl]ethanone
CID 15268068
1-acetyl-N,N-diethylindole-3-carboxamide
CID 113207891
1-[3-(4-benzylpiperazine-1-carbonyl)-6-chloroindol-1-yl]ethanone
CID 113213106
[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808586
(4-hydroxy-4-methylazepan-1-yl)-(1-methylindol-3-yl)methanone
CID 107406447
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576

Frequently Asked Questions

What is the IUPAC name of 1-[3-(azepane-1-carbonyl)indol-1-yl]ethanone?
The IUPAC name of 1-[3-(azepane-1-carbonyl)indol-1-yl]ethanone (CID 113207907) is 1-[3-(azepane-1-carbonyl)indol-1-yl]ethanone.
What is the SMILES notation for 1-[3-(azepane-1-carbonyl)indol-1-yl]ethanone?
The canonical SMILES for 1-[3-(azepane-1-carbonyl)indol-1-yl]ethanone is CC(=O)n1cc(C(=O)N2CCCCCC2)c2ccccc21.
What is the InChIKey of 1-[3-(azepane-1-carbonyl)indol-1-yl]ethanone?
The InChIKey is JYDBSNGRIKNMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13(20)19-12-15(14-8-4-5-9-16(14)19)17(21)18-10-6-2-3-7-11-18/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3.
What are the key properties of 1-[3-(azepane-1-carbonyl)indol-1-yl]ethanone?
1-[3-(azepane-1-carbonyl)indol-1-yl]ethanone has a molecular weight of 284.36 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(azepane-1-carbonyl)indol-1-yl]ethanone is sourced from PubChem (CID 113207907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).