2-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)isoindole-1,3-dione

C24H24N2O2 — CID 11530851

IUPAC2-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCN1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C24H24N2O2/c27-22-19-7-2-3-8-20(19)23(28)26(22)15-5-14-25-16-12-24(13-17-25)11-10-18-6-1-4-9-21(18)24/h1-4,6-11H,5,12-17H2
InChIKeyTWAOGHFKQVAWIJ-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.73
Rot. Bonds4

About 2-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)isoindole-1,3-dione

2-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)isoindole-1,3-dione (PubChem CID 11530851) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)isoindole-1,3-dione
PubChem CID11530851
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name2-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCN1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C24H24N2O2/c27-22-19-7-2-3-8-20(19)23(28)26(22)15-5-14-25-16-12-24(13-17-25)11-10-18-6-1-4-9-21(18)24/h1-4,6-11H,5,12-17H2
InChIKeyTWAOGHFKQVAWIJ-UHFFFAOYSA-N
XLogP3.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione
CID 12612173
2-[3-(4-acetylpiperazin-1-yl)propyl]isoindole-1,3-dione
CID 29230770
(4R)-8-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione
CID 95802429
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione
CID 56974133
2-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propyl]isoindole-1,3-dione
CID 103734065
2-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)isoindole-1,3-dione
CID 19085907
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(1,3-dioxoisoindol-2-yl)-4-spiro[indene-1,4'-piperidine]-1'-ylbutanamide
CID 58913245
2-[4-(1,3-dihydroisoindol-2-yl)butyl]isoindole-1,3-dione
CID 127052466
1'-(2-pyridin-4-ylethyl)spiro[indene-1,4'-piperidine];bis(2,2,2-trifluoroacetic acid)
CID 171321288
2-[3-(3-fluoropyrrolidin-1-yl)propyl]isoindole-1,3-dione
CID 175208589
1'-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]spiro[indene-1,4'-piperidine];formic acid
CID 172897271

Frequently Asked Questions

What is the IUPAC name of 2-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)isoindole-1,3-dione?
The IUPAC name of 2-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)isoindole-1,3-dione (CID 11530851) is 2-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)isoindole-1,3-dione?
The canonical SMILES for 2-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCN1CCC2(C=Cc3ccccc32)CC1.
What is the InChIKey of 2-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)isoindole-1,3-dione?
The InChIKey is TWAOGHFKQVAWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c27-22-19-7-2-3-8-20(19)23(28)26(22)15-5-14-25-16-12-24(13-17-25)11-10-18-6-1-4-9-21(18)24/h1-4,6-11H,5,12-17H2.
What are the key properties of 2-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)isoindole-1,3-dione?
2-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)isoindole-1,3-dione has a molecular weight of 372.47 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)isoindole-1,3-dione is sourced from PubChem (CID 11530851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).