1'-acetylspiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-2-one

C12H15N3O3 — CID 82375678

IUPAC1'-acetylspiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-2-one
SMILESCC(=O)N1CCC2(CC1)Nc1cocc1NC2=O
InChIInChI=1S/C12H15N3O3/c1-8(16)15-4-2-12(3-5-15)11(17)13-9-6-18-7-10(9)14-12/h6-7,14H,2-5H2,1H3,(H,13,17)
InChIKeyIKCITZJMKZWDDG-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.02
Rot. Bonds

About 1'-acetylspiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-2-one

1'-acetylspiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-2-one (PubChem CID 82375678) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1'-acetylspiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-acetylspiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-2-one
PubChem CID82375678
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name1'-acetylspiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-2-one
SMILESCC(=O)N1CCC2(CC1)Nc1cocc1NC2=O
InChIInChI=1S/C12H15N3O3/c1-8(16)15-4-2-12(3-5-15)11(17)13-9-6-18-7-10(9)14-12/h6-7,14H,2-5H2,1H3,(H,13,17)
InChIKeyIKCITZJMKZWDDG-UHFFFAOYSA-N
XLogP1.02
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]furan-3-yl]carbamate
CID 71145360
2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one
CID 92546001
1,4-dimethylspiro[2H-furo[3,4-b]pyrazine-3,1'-cyclopropane]
CID 170608196
furo[3,4-b]pyrazine-2,3(1H,4H)-dione
CID 720157
7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-2-one
CID 82375663
7-amino-1',4-dimethylspiro[1H-furo[3,4-b]pyrazine-3,4'-piperidine]-2-one
CID 82375664
7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,4'-oxane]-2-one
CID 82375665
7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,1'-cyclopropane]-2-one
CID 82375667
7-amino-4-methylspiro[1H-furo[3,4-b]pyrazine-3,4'-piperidine]-2-one
CID 82375670
Spiro[1,4-dihydrofuro[3,4-b]pyrazine-3,1'-cyclopropane]-2-one
CID 82375677
2-cyclopropyl-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one
CID 82376827
2-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one
CID 82376829

Frequently Asked Questions

What is the IUPAC name of 1'-acetylspiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-2-one?
The IUPAC name of 1'-acetylspiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-2-one (CID 82375678) is 1'-acetylspiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-acetylspiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-acetylspiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-2-one is CC(=O)N1CCC2(CC1)Nc1cocc1NC2=O.
What is the InChIKey of 1'-acetylspiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-2-one?
The InChIKey is IKCITZJMKZWDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-8(16)15-4-2-12(3-5-15)11(17)13-9-6-18-7-10(9)14-12/h6-7,14H,2-5H2,1H3,(H,13,17).
What are the key properties of 1'-acetylspiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-2-one?
1'-acetylspiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-2-one has a molecular weight of 249.27 g/mol, XLogP of 1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-acetylspiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-2-one is sourced from PubChem (CID 82375678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).