8a-ethyl-7-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

C20H27N3O4S — CID 163315179

IUPAC8a-ethyl-7-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCCC12COC(=O)N1CCN(C(=O)c1cc3c(s1)C1(CCNCC1)OCC3)C2
InChIInChI=1S/C20H27N3O4S/c1-2-19-12-22(8-9-23(19)18(25)26-13-19)17(24)15-11-14-3-10-27-20(16(14)28-15)4-6-21-7-5-20/h11,21H,2-10,12-13H2,1H3
InChIKeyFZAYRSCMGYPCPN-UHFFFAOYSA-N
MW405.52 g/mol
LogP1.96
Rot. Bonds2

About 8a-ethyl-7-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

8a-ethyl-7-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 163315179) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is 8a-ethyl-7-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name8a-ethyl-7-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID163315179
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC Name8a-ethyl-7-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCCC12COC(=O)N1CCN(C(=O)c1cc3c(s1)C1(CCNCC1)OCC3)C2
InChIInChI=1S/C20H27N3O4S/c1-2-19-12-22(8-9-23(19)18(25)26-13-19)17(24)15-11-14-3-10-27-20(16(14)28-15)4-6-21-7-5-20/h11,21H,2-10,12-13H2,1H3
InChIKeyFZAYRSCMGYPCPN-UHFFFAOYSA-N
XLogP1.96
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8a-ethyl-7-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one with MolForge

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Related Compounds

(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylmethanone
CID 164699150
[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylmethanone
CID 163315227
N-[2-(2-oxoimidazolidin-1-yl)ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 162633332
[1'-(3-methylbut-2-enyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]-morpholin-4-ylmethanone
CID 170508862
N-(2-morpholin-4-ylethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 162634817
2-[2-(4-methylpiperazine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide
CID 170510981
2-propyl-7-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175641219
spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 162637655
N-[(4-ethylsulfonylphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 135318412
8a-ethyl-7-(4-oxo-3H-quinazoline-2-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146046870
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 162634696
7-[4-(difluoromethoxy)benzoyl]-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146039795

Frequently Asked Questions

What is the IUPAC name of 8a-ethyl-7-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 8a-ethyl-7-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 163315179) is 8a-ethyl-7-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 8a-ethyl-7-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 8a-ethyl-7-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is CCC12COC(=O)N1CCN(C(=O)c1cc3c(s1)C1(CCNCC1)OCC3)C2.
What is the InChIKey of 8a-ethyl-7-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is FZAYRSCMGYPCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-2-19-12-22(8-9-23(19)18(25)26-13-19)17(24)15-11-14-3-10-27-20(16(14)28-15)4-6-21-7-5-20/h11,21H,2-10,12-13H2,1H3.
What are the key properties of 8a-ethyl-7-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
8a-ethyl-7-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 405.52 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-ethyl-7-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 163315179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).