1'-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one

C20H17N3O4 — CID 44580222

IUPAC1'-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(c3nc4cc5c(cc4[nH]3)OCO5)CC2)c2ccccc21
InChIInChI=1S/C20H17N3O4/c24-18-12-3-1-2-4-13(12)20(27-18)5-7-23(8-6-20)19-21-14-9-16-17(26-11-25-16)10-15(14)22-19/h1-4,9-10H,5-8,11H2,(H,21,22)
InChIKeyGPZACUUECXJTSU-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.96
Rot. Bonds1

About 1'-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one

1'-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 44580222) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is 1'-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID44580222
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name1'-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(c3nc4cc5c(cc4[nH]3)OCO5)CC2)c2ccccc21
InChIInChI=1S/C20H17N3O4/c24-18-12-3-1-2-4-13(12)20(27-18)5-7-23(8-6-20)19-21-14-9-16-17(26-11-25-16)10-15(14)22-19/h1-4,9-10H,5-8,11H2,(H,21,22)
InChIKeyGPZACUUECXJTSU-UHFFFAOYSA-N
XLogP2.96
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 1'-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 44580222) is 1'-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one is O=C1OC2(CCN(c3nc4cc5c(cc4[nH]3)OCO5)CC2)c2ccccc21.
What is the InChIKey of 1'-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is GPZACUUECXJTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c24-18-12-3-1-2-4-13(12)20(27-18)5-7-23(8-6-20)19-21-14-9-16-17(26-11-25-16)10-15(14)22-19/h1-4,9-10H,5-8,11H2,(H,21,22).
What are the key properties of 1'-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
1'-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 363.37 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 44580222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).