3-(3-cyclopropyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione

C15H15N3O3 — CID 138496531

IUPAC3-(3-cyclopropyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2c(=O)n(C3CC3)c3ccccc32)C(=O)N1
InChIInChI=1S/C15H15N3O3/c19-13-8-7-12(14(20)16-13)18-11-4-2-1-3-10(11)17(15(18)21)9-5-6-9/h1-4,9,12H,5-8H2,(H,16,19,20)
InChIKeyOIFIIOKIFZUNLY-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.12
Rot. Bonds2

About 3-(3-cyclopropyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione

3-(3-cyclopropyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione (PubChem CID 138496531) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-(3-cyclopropyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-cyclopropyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
PubChem CID138496531
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name3-(3-cyclopropyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2c(=O)n(C3CC3)c3ccccc32)C(=O)N1
InChIInChI=1S/C15H15N3O3/c19-13-8-7-12(14(20)16-13)18-11-4-2-1-3-10(11)17(15(18)21)9-5-6-9/h1-4,9,12H,5-8H2,(H,16,19,20)
InChIKeyOIFIIOKIFZUNLY-UHFFFAOYSA-N
XLogP1.12
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 166733310
3-[3-(difluoromethyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;ethane
CID 171641902
3-(2-oxo-3-prop-2-ynylbenzimidazol-1-yl)piperidine-2,6-dione
CID 162422025
3-[3-(oxan-4-yl)-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl]piperidine-2,6-dione
CID 167470969
10-[3-(2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-1-yl]decanoic acid
CID 167386252
3-pyrido[2,3-b]indol-9-ylpiperidine-2,6-dione
CID 138728131
3-(3-methyl-2-oxo-4-prop-1-en-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 164567593
3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;ethane
CID 163400444
3-bromopiperidine-2,6-dione;methane;1-methyl-3H-indol-2-one;3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 159816979
3-(3,7-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 156836715
3-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 150528335
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(3-cyclopropyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione (CID 138496531) is 3-(3-cyclopropyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(3-cyclopropyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(3-cyclopropyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione is O=C1CCC(n2c(=O)n(C3CC3)c3ccccc32)C(=O)N1.
What is the InChIKey of 3-(3-cyclopropyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione?
The InChIKey is OIFIIOKIFZUNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-13-8-7-12(14(20)16-13)18-11-4-2-1-3-10(11)17(15(18)21)9-5-6-9/h1-4,9,12H,5-8H2,(H,16,19,20).
What are the key properties of 3-(3-cyclopropyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione?
3-(3-cyclopropyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione has a molecular weight of 285.30 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 138496531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).