3-(7-phenyl-2,3-dihydro-1H-furo[2,3-b]pyrazin-4-yl)piperidine-2,6-dione

C17H17N3O3 — CID 170615009

IUPAC3-(7-phenyl-2,3-dihydro-1H-furo[2,3-b]pyrazin-4-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2CCNc3c(-c4ccccc4)coc32)C(=O)N1
InChIInChI=1S/C17H17N3O3/c21-14-7-6-13(16(22)19-14)20-9-8-18-15-12(10-23-17(15)20)11-4-2-1-3-5-11/h1-5,10,13,18H,6-9H2,(H,19,21,22)
InChIKeySHAKISAMDFEWPP-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.98
Rot. Bonds2

About 3-(7-phenyl-2,3-dihydro-1H-furo[2,3-b]pyrazin-4-yl)piperidine-2,6-dione

3-(7-phenyl-2,3-dihydro-1H-furo[2,3-b]pyrazin-4-yl)piperidine-2,6-dione (PubChem CID 170615009) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-(7-phenyl-2,3-dihydro-1H-furo[2,3-b]pyrazin-4-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(7-phenyl-2,3-dihydro-1H-furo[2,3-b]pyrazin-4-yl)piperidine-2,6-dione
PubChem CID170615009
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name3-(7-phenyl-2,3-dihydro-1H-furo[2,3-b]pyrazin-4-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2CCNc3c(-c4ccccc4)coc32)C(=O)N1
InChIInChI=1S/C17H17N3O3/c21-14-7-6-13(16(22)19-14)20-9-8-18-15-12(10-23-17(15)20)11-4-2-1-3-5-11/h1-5,10,13,18H,6-9H2,(H,19,21,22)
InChIKeySHAKISAMDFEWPP-UHFFFAOYSA-N
XLogP1.98
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(7-phenyl-2,3-dihydro-1H-furo[2,3-b]pyrazin-4-yl)piperidine-2,6-dione?
The IUPAC name of 3-(7-phenyl-2,3-dihydro-1H-furo[2,3-b]pyrazin-4-yl)piperidine-2,6-dione (CID 170615009) is 3-(7-phenyl-2,3-dihydro-1H-furo[2,3-b]pyrazin-4-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(7-phenyl-2,3-dihydro-1H-furo[2,3-b]pyrazin-4-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(7-phenyl-2,3-dihydro-1H-furo[2,3-b]pyrazin-4-yl)piperidine-2,6-dione is O=C1CCC(N2CCNc3c(-c4ccccc4)coc32)C(=O)N1.
What is the InChIKey of 3-(7-phenyl-2,3-dihydro-1H-furo[2,3-b]pyrazin-4-yl)piperidine-2,6-dione?
The InChIKey is SHAKISAMDFEWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c21-14-7-6-13(16(22)19-14)20-9-8-18-15-12(10-23-17(15)20)11-4-2-1-3-5-11/h1-5,10,13,18H,6-9H2,(H,19,21,22).
What are the key properties of 3-(7-phenyl-2,3-dihydro-1H-furo[2,3-b]pyrazin-4-yl)piperidine-2,6-dione?
3-(7-phenyl-2,3-dihydro-1H-furo[2,3-b]pyrazin-4-yl)piperidine-2,6-dione has a molecular weight of 311.34 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-phenyl-2,3-dihydro-1H-furo[2,3-b]pyrazin-4-yl)piperidine-2,6-dione is sourced from PubChem (CID 170615009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).