3-(1-methyl-2-oxospiro[7H-furo[3,2-e]benzimidazole-8,4'-piperidine]-3-yl)piperidine-2,6-dione

C19H22N4O4 — CID 172603640

IUPAC3-(1-methyl-2-oxospiro[7H-furo[3,2-e]benzimidazole-8,4'-piperidine]-3-yl)piperidine-2,6-dione
SMILESCn1c(=O)n(C2CCC(=O)NC2=O)c2ccc3c(c21)C1(CCNCC1)CO3
InChIInChI=1S/C19H22N4O4/c1-22-16-11(23(18(22)26)12-3-5-14(24)21-17(12)25)2-4-13-15(16)19(10-27-13)6-8-20-9-7-19/h2,4,12,20H,3,5-10H2,1H3,(H,21,24,25)
InChIKeyOUNYOARTCJJNHJ-UHFFFAOYSA-N
MW370.41 g/mol
LogP0.33
Rot. Bonds1

About 3-(1-methyl-2-oxospiro[7H-furo[3,2-e]benzimidazole-8,4'-piperidine]-3-yl)piperidine-2,6-dione

3-(1-methyl-2-oxospiro[7H-furo[3,2-e]benzimidazole-8,4'-piperidine]-3-yl)piperidine-2,6-dione (PubChem CID 172603640) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-(1-methyl-2-oxospiro[7H-furo[3,2-e]benzimidazole-8,4'-piperidine]-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(1-methyl-2-oxospiro[7H-furo[3,2-e]benzimidazole-8,4'-piperidine]-3-yl)piperidine-2,6-dione
PubChem CID172603640
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name3-(1-methyl-2-oxospiro[7H-furo[3,2-e]benzimidazole-8,4'-piperidine]-3-yl)piperidine-2,6-dione
SMILESCn1c(=O)n(C2CCC(=O)NC2=O)c2ccc3c(c21)C1(CCNCC1)CO3
InChIInChI=1S/C19H22N4O4/c1-22-16-11(23(18(22)26)12-3-5-14(24)21-17(12)25)2-4-13-15(16)19(10-27-13)6-8-20-9-7-19/h2,4,12,20H,3,5-10H2,1H3,(H,21,24,25)
InChIKeyOUNYOARTCJJNHJ-UHFFFAOYSA-N
XLogP0.33
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-(1-methyl-2-oxospiro[7H-furo[3,2-e]benzimidazole-8,4'-piperidine]-3-yl)piperidine-2,6-dione with MolForge

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Related Compounds

ethane;3-(4-fluoro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 170952758
3-[3-methyl-2-oxo-4-(piperidin-4-ylmethyl)benzimidazol-1-yl]piperidine-2,6-dione
CID 146599691
3-[4-(2,8-diazaspiro[4.5]decan-2-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 178005451
3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;ethane
CID 163400444
3-(4-ethyl-3,5-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 176933360
3-(4-chloro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione;methylphosphane;propane
CID 166549570
3-[4-[3-(3,9-diazaspiro[5.5]undecan-3-yl)propyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 146599142
3-[3-methyl-2-oxo-4-[[4-(piperidin-4-ylmethyl)piperidin-1-yl]methyl]benzimidazol-1-yl]piperidine-2,6-dione;hydrochloride
CID 175814867
3-(3-methyl-2-oxo-4-prop-1-en-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 164567593
(3S)-3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 166733310
(3R)-3-(3-methyl-2-oxo-5-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 170706486
3-[4-[(3R,4R)-3-fluoropiperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 169121079

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-2-oxospiro[7H-furo[3,2-e]benzimidazole-8,4'-piperidine]-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(1-methyl-2-oxospiro[7H-furo[3,2-e]benzimidazole-8,4'-piperidine]-3-yl)piperidine-2,6-dione (CID 172603640) is 3-(1-methyl-2-oxospiro[7H-furo[3,2-e]benzimidazole-8,4'-piperidine]-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(1-methyl-2-oxospiro[7H-furo[3,2-e]benzimidazole-8,4'-piperidine]-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(1-methyl-2-oxospiro[7H-furo[3,2-e]benzimidazole-8,4'-piperidine]-3-yl)piperidine-2,6-dione is Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc3c(c21)C1(CCNCC1)CO3.
What is the InChIKey of 3-(1-methyl-2-oxospiro[7H-furo[3,2-e]benzimidazole-8,4'-piperidine]-3-yl)piperidine-2,6-dione?
The InChIKey is OUNYOARTCJJNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-22-16-11(23(18(22)26)12-3-5-14(24)21-17(12)25)2-4-13-15(16)19(10-27-13)6-8-20-9-7-19/h2,4,12,20H,3,5-10H2,1H3,(H,21,24,25).
What are the key properties of 3-(1-methyl-2-oxospiro[7H-furo[3,2-e]benzimidazole-8,4'-piperidine]-3-yl)piperidine-2,6-dione?
3-(1-methyl-2-oxospiro[7H-furo[3,2-e]benzimidazole-8,4'-piperidine]-3-yl)piperidine-2,6-dione has a molecular weight of 370.41 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-2-oxospiro[7H-furo[3,2-e]benzimidazole-8,4'-piperidine]-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 172603640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).