1-(1,4-diazepan-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone

C15H21N3O — CID 80573143

IUPAC1-(1,4-diazepan-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
SMILESO=C(CC1CNc2ccccc21)N1CCCNCC1
InChIInChI=1S/C15H21N3O/c19-15(18-8-3-6-16-7-9-18)10-12-11-17-14-5-2-1-4-13(12)14/h1-2,4-5,12,16-17H,3,6-11H2
InChIKeyWXLHSYHTDWRAMN-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.41
Rot. Bonds2

About 1-(1,4-diazepan-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone

1-(1,4-diazepan-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone (PubChem CID 80573143) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(1,4-diazepan-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(1,4-diazepan-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
PubChem CID80573143
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(1,4-diazepan-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
SMILESO=C(CC1CNc2ccccc21)N1CCCNCC1
InChIInChI=1S/C15H21N3O/c19-15(18-8-3-6-16-7-9-18)10-12-11-17-14-5-2-1-4-13(12)14/h1-2,4-5,12,16-17H,3,6-11H2
InChIKeyWXLHSYHTDWRAMN-UHFFFAOYSA-N
XLogP1.41
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-indol-3-yl)-1-(1,4-thiazepan-4-yl)ethanone
CID 80573102
4-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-1-methyl-1,4-diazepan-2-one
CID 102888858
2-(2,3-dihydro-1H-indol-3-yl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 107217538
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 80572891
2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 80573934
2-(2,3-dihydro-1H-indol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 80573876
2-(2,3-dihydro-1H-indol-3-yl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 80572746
1-(2,3-dihydro-1H-indol-3-yl)-5,5,5-trifluoropentan-2-one
CID 116593583
1-(1,4-diazepan-1-yl)-4-phenylbutane-1,4-dione;hydrochloride
CID 119418359
1-pyrrolidin-1-yl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylethanone
CID 121229522
2-(2,3-dihydro-1H-indol-3-yl)-1-(2,5-dimethylpiperidin-1-yl)ethanone
CID 80573410
1-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 80572434

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-diazepan-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone?
The IUPAC name of 1-(1,4-diazepan-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone (CID 80573143) is 1-(1,4-diazepan-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(1,4-diazepan-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(1,4-diazepan-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone is O=C(CC1CNc2ccccc21)N1CCCNCC1.
What is the InChIKey of 1-(1,4-diazepan-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone?
The InChIKey is WXLHSYHTDWRAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c19-15(18-8-3-6-16-7-9-18)10-12-11-17-14-5-2-1-4-13(12)14/h1-2,4-5,12,16-17H,3,6-11H2.
What are the key properties of 1-(1,4-diazepan-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone?
1-(1,4-diazepan-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone has a molecular weight of 259.35 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-diazepan-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone is sourced from PubChem (CID 80573143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).