3-[5-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one

C18H24N4O3 — CID 110098975

IUPAC3-[5-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCC(=O)N1CCCC1c1cnc(N2CC3(CCCCC3)OC2=O)cn1
InChIInChI=1S/C18H24N4O3/c1-13(23)21-9-5-6-15(21)14-10-20-16(11-19-14)22-12-18(25-17(22)24)7-3-2-4-8-18/h10-11,15H,2-9,12H2,1H3
InChIKeyGYOXUPPLLMIWCD-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.82
Rot. Bonds2

About 3-[5-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one

3-[5-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 110098975) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-[5-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[5-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID110098975
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name3-[5-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCC(=O)N1CCCC1c1cnc(N2CC3(CCCCC3)OC2=O)cn1
InChIInChI=1S/C18H24N4O3/c1-13(23)21-9-5-6-15(21)14-10-20-16(11-19-14)22-12-18(25-17(22)24)7-3-2-4-8-18/h10-11,15H,2-9,12H2,1H3
InChIKeyGYOXUPPLLMIWCD-UHFFFAOYSA-N
XLogP2.82
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-[1-(2,2-Dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 110099054
3-[6-(1-Acetylpiperidin-4-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 110098954
Tert-butyl 3-[5-(2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)pyrazin-2-yl]piperidine-1-carboxylate
CID 110099018
3-[6-(1-Acetylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 110099051
3-[6-(1-Methylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one
CID 110096494
3-[5-(1-Methylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one
CID 110096496
3-[6-(1-Propan-2-ylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one
CID 110096502
3-[5-(1-Propan-2-ylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one
CID 110096504
3-[6-(1-Acetylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one
CID 110096515
3-[6-[(1-Acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one
CID 110096516
3-[5-(1-Acetylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one
CID 110096517
3-[5-[(1-Acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one
CID 110096519

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-[5-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one (CID 110098975) is 3-[5-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[5-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[5-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one is CC(=O)N1CCCC1c1cnc(N2CC3(CCCCC3)OC2=O)cn1.
What is the InChIKey of 3-[5-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is GYOXUPPLLMIWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13(23)21-9-5-6-15(21)14-10-20-16(11-19-14)22-12-18(25-17(22)24)7-3-2-4-8-18/h10-11,15H,2-9,12H2,1H3.
What are the key properties of 3-[5-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
3-[5-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 344.42 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 110098975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).