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

C20H30N4O2 — CID 110099016

IUPAC3-[5-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCC(C)N1CCCC(c2cnc(N3CC4(CCCCC4)OC3=O)cn2)C1
InChIInChI=1S/C20H30N4O2/c1-15(2)23-10-6-7-16(13-23)17-11-22-18(12-21-17)24-14-20(26-19(24)25)8-4-3-5-9-20/h11-12,15-16H,3-10,13-14H2,1-2H3
InChIKeyBOIYIJKZKYKYIB-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.72
Rot. Bonds3

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

3-[5-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 110099016) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 3-[5-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[5-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID110099016
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name3-[5-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCC(C)N1CCCC(c2cnc(N3CC4(CCCCC4)OC3=O)cn2)C1
InChIInChI=1S/C20H30N4O2/c1-15(2)23-10-6-7-16(13-23)17-11-22-18(12-21-17)24-14-20(26-19(24)25)8-4-3-5-9-20/h11-12,15-16H,3-10,13-14H2,1-2H3
InChIKeyBOIYIJKZKYKYIB-UHFFFAOYSA-N
XLogP3.72
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-[5-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one (CID 110099016) is 3-[5-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[5-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[5-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one is CC(C)N1CCCC(c2cnc(N3CC4(CCCCC4)OC3=O)cn2)C1.
What is the InChIKey of 3-[5-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is BOIYIJKZKYKYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-15(2)23-10-6-7-16(13-23)17-11-22-18(12-21-17)24-14-20(26-19(24)25)8-4-3-5-9-20/h11-12,15-16H,3-10,13-14H2,1-2H3.
What are the key properties of 3-[5-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
3-[5-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 358.49 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 110099016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).