2-(azepan-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethanone

C17H24N2O — CID 82256396

IUPAC2-(azepan-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethanone
SMILESCC1Cc2cc(C(=O)CN3CCCCCC3)ccc2N1
InChIInChI=1S/C17H24N2O/c1-13-10-15-11-14(6-7-16(15)18-13)17(20)12-19-8-4-2-3-5-9-19/h6-7,11,13,18H,2-5,8-10,12H2,1H3
InChIKeyZXBCBNZBBSEBSR-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.10
Rot. Bonds3

About 2-(azepan-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethanone

2-(azepan-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethanone (PubChem CID 82256396) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(azepan-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethanone.

Molecular Properties

Compound Name2-(azepan-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethanone
PubChem CID82256396
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-(azepan-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethanone
SMILESCC1Cc2cc(C(=O)CN3CCCCCC3)ccc2N1
InChIInChI=1S/C17H24N2O/c1-13-10-15-11-14(6-7-16(15)18-13)17(20)12-19-8-4-2-3-5-9-19/h6-7,11,13,18H,2-5,8-10,12H2,1H3
InChIKeyZXBCBNZBBSEBSR-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylethanone
CID 82097094
cyclohexyl-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone
CID 82032485
1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-piperidin-1-ylpropan-1-one
CID 82256463
3-methyl-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)butan-1-one
CID 82032484
1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-(2-morpholin-4-ylethylamino)ethanone
CID 82257951
2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
CID 82256446
1-(2,3-dihydro-1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 82102438
2-(azepan-1-yl)-1-(3,4-dichlorophenyl)ethanone
CID 43219228
2-(4-ethylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 93191615
1-(3,4-diethoxyphenyl)-2-piperidin-1-ylethanone
CID 82050354
2-[4-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone
CID 110830029
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 114679215

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethanone?
The IUPAC name of 2-(azepan-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethanone (CID 82256396) is 2-(azepan-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethanone.
What is the SMILES notation for 2-(azepan-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethanone?
The canonical SMILES for 2-(azepan-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethanone is CC1Cc2cc(C(=O)CN3CCCCCC3)ccc2N1.
What is the InChIKey of 2-(azepan-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethanone?
The InChIKey is ZXBCBNZBBSEBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-10-15-11-14(6-7-16(15)18-13)17(20)12-19-8-4-2-3-5-9-19/h6-7,11,13,18H,2-5,8-10,12H2,1H3.
What are the key properties of 2-(azepan-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethanone?
2-(azepan-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethanone has a molecular weight of 272.39 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethanone is sourced from PubChem (CID 82256396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).