2-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride

C23H34Cl2N4O2 — CID 119857318

IUPAC2-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride
SMILESCl.Cl.O=C(C1CC2CCCCC2N1)N1CCN(CC(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C23H32N4O2.2ClH/c28-22(27-10-9-17-5-2-4-8-21(17)27)16-25-11-13-26(14-12-25)23(29)20-15-18-6-1-3-7-19(18)24-20;;/h2,4-5,8,18-20,24H,1,3,6-7,9-16H2;2*1H
InChIKeyZEKFDZSGOGYDFC-UHFFFAOYSA-N
MW469.46 g/mol
LogP2.48
Rot. Bonds3

About 2-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride

2-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride (PubChem CID 119857318) has the molecular formula C23H34Cl2N4O2 and a molecular weight of 469.46 g/mol. Its IUPAC name is 2-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride.

Molecular Properties

Compound Name2-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride
PubChem CID119857318
Molecular FormulaC23H34Cl2N4O2
Molecular Weight469.46 g/mol
Exact Mass468.21
IUPAC Name2-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride
SMILESCl.Cl.O=C(C1CC2CCCCC2N1)N1CCN(CC(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C23H32N4O2.2ClH/c28-22(27-10-9-17-5-2-4-8-21(17)27)16-25-11-13-26(14-12-25)23(29)20-15-18-6-1-3-7-19(18)24-20;;/h2,4-5,8,18-20,24H,1,3,6-7,9-16H2;2*1H
InChIKeyZEKFDZSGOGYDFC-UHFFFAOYSA-N
XLogP2.48
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.46
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride with MolForge

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
CID 119857339
1-(2,3-dihydroindol-1-yl)-2-[4-(3-methylcyclobutanecarbonyl)piperazin-1-yl]ethanone
CID 75361771
2-[4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 47058306
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(piperidin-1-yl)methanone
CID 24693158
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(6-fluoro-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119310101
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[4-(2,2-difluoroethyl)piperazin-1-yl]methanone
CID 119867026
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119838539
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 110665056
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119290317
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[4-(2,6-difluorobenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119307949
1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282171
2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119933655

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride?
The IUPAC name of 2-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride (CID 119857318) is 2-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride.
What is the SMILES notation for 2-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride?
The canonical SMILES for 2-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride is Cl.Cl.O=C(C1CC2CCCCC2N1)N1CCN(CC(=O)N2CCc3ccccc32)CC1.
What is the InChIKey of 2-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride?
The InChIKey is ZEKFDZSGOGYDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2.2ClH/c28-22(27-10-9-17-5-2-4-8-21(17)27)16-25-11-13-26(14-12-25)23(29)20-15-18-6-1-3-7-19(18)24-20;;/h2,4-5,8,18-20,24H,1,3,6-7,9-16H2;2*1H.
What are the key properties of 2-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride?
2-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride has a molecular weight of 469.46 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride is sourced from PubChem (CID 119857318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).