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

C18H26N4O4S — CID 110099053

IUPAC3-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCS(=O)(=O)N1CCCC(c2cncc(N3CC4(CCCCC4)OC3=O)n2)C1
InChIInChI=1S/C18H26N4O4S/c1-27(24,25)21-9-5-6-14(12-21)15-10-19-11-16(20-15)22-13-18(26-17(22)23)7-3-2-4-8-18/h10-11,14H,2-9,12-13H2,1H3
InChIKeyOHALUYXLULFRNV-UHFFFAOYSA-N
MW394.50 g/mol
LogP2.28
Rot. Bonds3

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

3-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 110099053) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is 3-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID110099053
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC Name3-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCS(=O)(=O)N1CCCC(c2cncc(N3CC4(CCCCC4)OC3=O)n2)C1
InChIInChI=1S/C18H26N4O4S/c1-27(24,25)21-9-5-6-14(12-21)15-10-19-11-16(20-15)22-13-18(26-17(22)23)7-3-2-4-8-18/h10-11,14H,2-9,12-13H2,1H3
InChIKeyOHALUYXLULFRNV-UHFFFAOYSA-N
XLogP2.28
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-Methylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one
CID 110096495
3-[5-(1-Methylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one
CID 110096497
3-[6-(1-Propan-2-ylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one
CID 110096503
3-[5-(1-Propan-2-ylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one
CID 110096505
3-[6-(1-Acetylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one
CID 110096515
3-[5-(1-Acetylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one
CID 110096517
3-[6-(1-Methylsulfonylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one
CID 110096813
3-[5-(1-Methylsulfonylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one
CID 110096814

Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one (CID 110099053) is 3-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one is CS(=O)(=O)N1CCCC(c2cncc(N3CC4(CCCCC4)OC3=O)n2)C1.
What is the InChIKey of 3-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is OHALUYXLULFRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4S/c1-27(24,25)21-9-5-6-14(12-21)15-10-19-11-16(20-15)22-13-18(26-17(22)23)7-3-2-4-8-18/h10-11,14H,2-9,12-13H2,1H3.
What are the key properties of 3-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
3-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 394.50 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 110099053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).