2-(oxolan-2-ylmethyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C19H26N4O3 — CID 72871443

IUPAC2-(oxolan-2-ylmethyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(C(=O)c3cnccn3)CC2)CN1CC1CCCO1
InChIInChI=1S/C19H26N4O3/c24-17-3-4-19(14-23(17)13-15-2-1-11-26-15)5-9-22(10-6-19)18(25)16-12-20-7-8-21-16/h7-8,12,15H,1-6,9-11,13-14H2
InChIKeyVYSHSEXYAJHVTR-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.50
Rot. Bonds3

About 2-(oxolan-2-ylmethyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

2-(oxolan-2-ylmethyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72871443) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(oxolan-2-ylmethyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72871443
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-(oxolan-2-ylmethyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(C(=O)c3cnccn3)CC2)CN1CC1CCCO1
InChIInChI=1S/C19H26N4O3/c24-17-3-4-19(14-23(17)13-15-2-1-11-26-15)5-9-22(10-6-19)18(25)16-12-20-7-8-21-16/h7-8,12,15H,1-6,9-11,13-14H2
InChIKeyVYSHSEXYAJHVTR-UHFFFAOYSA-N
XLogP1.50
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(oxolan-2-ylmethyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72871443) is 2-(oxolan-2-ylmethyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(oxolan-2-ylmethyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(oxolan-2-ylmethyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(C(=O)c3cnccn3)CC2)CN1CC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is VYSHSEXYAJHVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c24-17-3-4-19(14-23(17)13-15-2-1-11-26-15)5-9-22(10-6-19)18(25)16-12-20-7-8-21-16/h7-8,12,15H,1-6,9-11,13-14H2.
What are the key properties of 2-(oxolan-2-ylmethyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(oxolan-2-ylmethyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 358.44 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72871443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).