8-(5-methylpyrazine-2-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C18H26N4O3 — CID 70713406

IUPAC8-(5-methylpyrazine-2-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCC(C)N1CC2(CCN(C(=O)c3cnc(C)cn3)CC2)OC1=O
InChIInChI=1S/C18H26N4O3/c1-4-5-14(3)22-12-18(25-17(22)24)6-8-21(9-7-18)16(23)15-11-19-13(2)10-20-15/h10-11,14H,4-9,12H2,1-3H3
InChIKeyANIUTAAXGSLCMU-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.40
Rot. Bonds4

About 8-(5-methylpyrazine-2-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(5-methylpyrazine-2-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70713406) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 8-(5-methylpyrazine-2-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(5-methylpyrazine-2-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70713406
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name8-(5-methylpyrazine-2-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCC(C)N1CC2(CCN(C(=O)c3cnc(C)cn3)CC2)OC1=O
InChIInChI=1S/C18H26N4O3/c1-4-5-14(3)22-12-18(25-17(22)24)6-8-21(9-7-18)16(23)15-11-19-13(2)10-20-15/h10-11,14H,4-9,12H2,1-3H3
InChIKeyANIUTAAXGSLCMU-UHFFFAOYSA-N
XLogP2.40
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(5-methylpyrazine-2-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(5-methylpyrazine-2-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70713406) is 8-(5-methylpyrazine-2-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(5-methylpyrazine-2-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(5-methylpyrazine-2-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCCC(C)N1CC2(CCN(C(=O)c3cnc(C)cn3)CC2)OC1=O.
What is the InChIKey of 8-(5-methylpyrazine-2-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is ANIUTAAXGSLCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-4-5-14(3)22-12-18(25-17(22)24)6-8-21(9-7-18)16(23)15-11-19-13(2)10-20-15/h10-11,14H,4-9,12H2,1-3H3.
What are the key properties of 8-(5-methylpyrazine-2-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(5-methylpyrazine-2-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 346.43 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-methylpyrazine-2-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70713406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).