3-[4-(4-cyclohexylpiperazin-1-yl)-2,3-dihydroindol-1-yl]piperidine-2,6-dione

C23H32N4O2 — CID 170625343

IUPAC3-[4-(4-cyclohexylpiperazin-1-yl)-2,3-dihydroindol-1-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2CCc3c(N4CCN(C5CCCCC5)CC4)cccc32)C(=O)N1
InChIInChI=1S/C23H32N4O2/c28-22-10-9-21(23(29)24-22)27-12-11-18-19(7-4-8-20(18)27)26-15-13-25(14-16-26)17-5-2-1-3-6-17/h4,7-8,17,21H,1-3,5-6,9-16H2,(H,24,28,29)
InChIKeyZMHOLTKOSVBMTB-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.31
Rot. Bonds3

About 3-[4-(4-cyclohexylpiperazin-1-yl)-2,3-dihydroindol-1-yl]piperidine-2,6-dione

3-[4-(4-cyclohexylpiperazin-1-yl)-2,3-dihydroindol-1-yl]piperidine-2,6-dione (PubChem CID 170625343) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 3-[4-(4-cyclohexylpiperazin-1-yl)-2,3-dihydroindol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-(4-cyclohexylpiperazin-1-yl)-2,3-dihydroindol-1-yl]piperidine-2,6-dione
PubChem CID170625343
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name3-[4-(4-cyclohexylpiperazin-1-yl)-2,3-dihydroindol-1-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2CCc3c(N4CCN(C5CCCCC5)CC4)cccc32)C(=O)N1
InChIInChI=1S/C23H32N4O2/c28-22-10-9-21(23(29)24-22)27-12-11-18-19(7-4-8-20(18)27)26-15-13-25(14-16-26)17-5-2-1-3-6-17/h4,7-8,17,21H,1-3,5-6,9-16H2,(H,24,28,29)
InChIKeyZMHOLTKOSVBMTB-UHFFFAOYSA-N
XLogP2.31
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[4-(4-cyclohexylpiperazin-1-yl)-2,3-dihydroindol-1-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[3-oxo-7-(3-piperidin-1-ylazetidin-1-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 174065870
(3R)-3-[5-[4-(2-hydroxyethyl)piperidin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]piperidine-2,6-dione
CID 170437367
tert-butyl 1-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]piperidine-4-carboxylate
CID 170437347
tert-butyl 3-[1-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]azetidin-3-yl]propanoate
CID 170625609
3-[7-[[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177163399
1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]piperidine-4-carbaldehyde
CID 165136850
3-[7-[6-[1-(4-aminophenyl)piperidin-4-yl]-2,6-diazaspiro[3.3]heptan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166143414
tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-2H-quinolin-5-yl]oxy]piperidin-1-yl]piperidine-1-carboxylate
CID 170450016
3-[3-oxo-7-(4-piperidin-4-ylpiperidin-1-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171491722
4-[4-(cyclohexylmethyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 177190859
2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 3127917
3-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)piperidine-2,6-dione
CID 170625595

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-cyclohexylpiperazin-1-yl)-2,3-dihydroindol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[4-(4-cyclohexylpiperazin-1-yl)-2,3-dihydroindol-1-yl]piperidine-2,6-dione (CID 170625343) is 3-[4-(4-cyclohexylpiperazin-1-yl)-2,3-dihydroindol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-(4-cyclohexylpiperazin-1-yl)-2,3-dihydroindol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-(4-cyclohexylpiperazin-1-yl)-2,3-dihydroindol-1-yl]piperidine-2,6-dione is O=C1CCC(N2CCc3c(N4CCN(C5CCCCC5)CC4)cccc32)C(=O)N1.
What is the InChIKey of 3-[4-(4-cyclohexylpiperazin-1-yl)-2,3-dihydroindol-1-yl]piperidine-2,6-dione?
The InChIKey is ZMHOLTKOSVBMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c28-22-10-9-21(23(29)24-22)27-12-11-18-19(7-4-8-20(18)27)26-15-13-25(14-16-26)17-5-2-1-3-6-17/h4,7-8,17,21H,1-3,5-6,9-16H2,(H,24,28,29).
What are the key properties of 3-[4-(4-cyclohexylpiperazin-1-yl)-2,3-dihydroindol-1-yl]piperidine-2,6-dione?
3-[4-(4-cyclohexylpiperazin-1-yl)-2,3-dihydroindol-1-yl]piperidine-2,6-dione has a molecular weight of 396.54 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-cyclohexylpiperazin-1-yl)-2,3-dihydroindol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 170625343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).