3-(5-piperidin-3-ylpyrazin-2-yl)-1,8-dioxa-3-azaspiro[4.5]decan-2-one

C16H22N4O3 — CID 110099020

IUPAC3-(5-piperidin-3-ylpyrazin-2-yl)-1,8-dioxa-3-azaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCOCC2)CN1c1cnc(C2CCCNC2)cn1
InChIInChI=1S/C16H22N4O3/c21-15-20(11-16(23-15)3-6-22-7-4-16)14-10-18-13(9-19-14)12-2-1-5-17-8-12/h9-10,12,17H,1-8,11H2
InChIKeyQMHDNLUMPRDUIF-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.45
Rot. Bonds2

About 3-(5-piperidin-3-ylpyrazin-2-yl)-1,8-dioxa-3-azaspiro[4.5]decan-2-one

3-(5-piperidin-3-ylpyrazin-2-yl)-1,8-dioxa-3-azaspiro[4.5]decan-2-one (PubChem CID 110099020) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-(5-piperidin-3-ylpyrazin-2-yl)-1,8-dioxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(5-piperidin-3-ylpyrazin-2-yl)-1,8-dioxa-3-azaspiro[4.5]decan-2-one
PubChem CID110099020
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name3-(5-piperidin-3-ylpyrazin-2-yl)-1,8-dioxa-3-azaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCOCC2)CN1c1cnc(C2CCCNC2)cn1
InChIInChI=1S/C16H22N4O3/c21-15-20(11-16(23-15)3-6-22-7-4-16)14-10-18-13(9-19-14)12-2-1-5-17-8-12/h9-10,12,17H,1-8,11H2
InChIKeyQMHDNLUMPRDUIF-UHFFFAOYSA-N
XLogP1.45
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-piperidin-3-ylpyrazin-2-yl)-1,8-dioxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-(5-piperidin-3-ylpyrazin-2-yl)-1,8-dioxa-3-azaspiro[4.5]decan-2-one (CID 110099020) is 3-(5-piperidin-3-ylpyrazin-2-yl)-1,8-dioxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(5-piperidin-3-ylpyrazin-2-yl)-1,8-dioxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(5-piperidin-3-ylpyrazin-2-yl)-1,8-dioxa-3-azaspiro[4.5]decan-2-one is O=C1OC2(CCOCC2)CN1c1cnc(C2CCCNC2)cn1.
What is the InChIKey of 3-(5-piperidin-3-ylpyrazin-2-yl)-1,8-dioxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is QMHDNLUMPRDUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c21-15-20(11-16(23-15)3-6-22-7-4-16)14-10-18-13(9-19-14)12-2-1-5-17-8-12/h9-10,12,17H,1-8,11H2.
What are the key properties of 3-(5-piperidin-3-ylpyrazin-2-yl)-1,8-dioxa-3-azaspiro[4.5]decan-2-one?
3-(5-piperidin-3-ylpyrazin-2-yl)-1,8-dioxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 318.38 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-piperidin-3-ylpyrazin-2-yl)-1,8-dioxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 110099020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).