3-[6-(1-acetylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one

C19H26N4O3 — CID 110099051

IUPAC3-[6-(1-acetylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCC(=O)N1CCCC(c2cncc(N3CC4(CCCCC4)OC3=O)n2)C1
InChIInChI=1S/C19H26N4O3/c1-14(24)22-9-5-6-15(12-22)16-10-20-11-17(21-16)23-13-19(26-18(23)25)7-3-2-4-8-19/h10-11,15H,2-9,12-13H2,1H3
InChIKeyYXUPRBGJBCNXJA-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.86
Rot. Bonds2

About 3-[6-(1-acetylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one

3-[6-(1-acetylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 110099051) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-[6-(1-acetylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[6-(1-acetylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID110099051
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name3-[6-(1-acetylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCC(=O)N1CCCC(c2cncc(N3CC4(CCCCC4)OC3=O)n2)C1
InChIInChI=1S/C19H26N4O3/c1-14(24)22-9-5-6-15(12-22)16-10-20-11-17(21-16)23-13-19(26-18(23)25)7-3-2-4-8-19/h10-11,15H,2-9,12-13H2,1H3
InChIKeyYXUPRBGJBCNXJA-UHFFFAOYSA-N
XLogP2.86
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-acetylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-[6-(1-acetylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one (CID 110099051) is 3-[6-(1-acetylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[6-(1-acetylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[6-(1-acetylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one is CC(=O)N1CCCC(c2cncc(N3CC4(CCCCC4)OC3=O)n2)C1.
What is the InChIKey of 3-[6-(1-acetylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is YXUPRBGJBCNXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-14(24)22-9-5-6-15(12-22)16-10-20-11-17(21-16)23-13-19(26-18(23)25)7-3-2-4-8-19/h10-11,15H,2-9,12-13H2,1H3.
What are the key properties of 3-[6-(1-acetylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
3-[6-(1-acetylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 358.44 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-acetylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 110099051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).