1-(1,4-diazepan-1-yl)-2-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride

C15H23Cl2N3O — CID 119417200

IUPAC1-(1,4-diazepan-1-yl)-2-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride
SMILESCl.Cl.O=C(CN1CCc2ccccc21)N1CCCNCC1
InChIInChI=1S/C15H21N3O.2ClH/c19-15(17-9-3-7-16-8-11-17)12-18-10-6-13-4-1-2-5-14(13)18;;/h1-2,4-5,16H,3,6-12H2;2*1H
InChIKeyWFUYOIXTQJMBFB-UHFFFAOYSA-N
MW332.28 g/mol
LogP1.71
Rot. Bonds2

About 1-(1,4-diazepan-1-yl)-2-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride

1-(1,4-diazepan-1-yl)-2-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride (PubChem CID 119417200) has the molecular formula C15H23Cl2N3O and a molecular weight of 332.28 g/mol. Its IUPAC name is 1-(1,4-diazepan-1-yl)-2-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride.

Molecular Properties

Compound Name1-(1,4-diazepan-1-yl)-2-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride
PubChem CID119417200
Molecular FormulaC15H23Cl2N3O
Molecular Weight332.28 g/mol
Exact Mass331.12
IUPAC Name1-(1,4-diazepan-1-yl)-2-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride
SMILESCl.Cl.O=C(CN1CCc2ccccc21)N1CCCNCC1
InChIInChI=1S/C15H21N3O.2ClH/c19-15(17-9-3-7-16-8-11-17)12-18-10-6-13-4-1-2-5-14(13)18;;/h1-2,4-5,16H,3,6-12H2;2*1H
InChIKeyWFUYOIXTQJMBFB-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azetidin-1-yl)-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanone
CID 63101653
4-(2,3-dihydroindol-1-yl)-1-piperazin-1-ylbutan-1-one
CID 39284028
1-(2-oxo-2-piperazin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one;hydrochloride
CID 119403364
1-(1,4-diazepan-1-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
CID 63153181
4-[2-(2,3-dihydroindol-1-yl)acetyl]-1-methylpiperazin-2-one
CID 129470949
2-(2,3-dihydroindol-1-yl)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 120833506
1-[2-(1,4-diazepan-1-yl)-2-oxoethyl]piperidin-2-one;hydrochloride
CID 119417380
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 9329012
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 54816851
2-(4-benzylpiperazin-1-yl)-1-(1,4-diazepan-1-yl)ethanone;dihydrochloride
CID 119414859
2-(2,3-dihydroindol-1-yl)acetate
CID 6935608
1-(2-oxo-2-piperazin-1-ylethyl)-3H-indol-2-one
CID 24696851

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-diazepan-1-yl)-2-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride?
The IUPAC name of 1-(1,4-diazepan-1-yl)-2-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride (CID 119417200) is 1-(1,4-diazepan-1-yl)-2-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride.
What is the SMILES notation for 1-(1,4-diazepan-1-yl)-2-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride?
The canonical SMILES for 1-(1,4-diazepan-1-yl)-2-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride is Cl.Cl.O=C(CN1CCc2ccccc21)N1CCCNCC1.
What is the InChIKey of 1-(1,4-diazepan-1-yl)-2-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride?
The InChIKey is WFUYOIXTQJMBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O.2ClH/c19-15(17-9-3-7-16-8-11-17)12-18-10-6-13-4-1-2-5-14(13)18;;/h1-2,4-5,16H,3,6-12H2;2*1H.
What are the key properties of 1-(1,4-diazepan-1-yl)-2-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride?
1-(1,4-diazepan-1-yl)-2-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride has a molecular weight of 332.28 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 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-dihydroindol-1-yl)ethanone;dihydrochloride is sourced from PubChem (CID 119417200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).