2-(2-hydroxyethyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one

C15H22N4O2 — CID 70771931

IUPAC2-(2-hydroxyethyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(c3cnccn3)C2)CN1CCO
InChIInChI=1S/C15H22N4O2/c20-9-8-19-12-15(4-2-14(19)21)3-1-7-18(11-15)13-10-16-5-6-17-13/h5-6,10,20H,1-4,7-9,11-12H2
InChIKeyOFHRFPPEPCMAPZ-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.68
Rot. Bonds3

About 2-(2-hydroxyethyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one

2-(2-hydroxyethyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70771931) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70771931
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-(2-hydroxyethyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(c3cnccn3)C2)CN1CCO
InChIInChI=1S/C15H22N4O2/c20-9-8-19-12-15(4-2-14(19)21)3-1-7-18(11-15)13-10-16-5-6-17-13/h5-6,10,20H,1-4,7-9,11-12H2
InChIKeyOFHRFPPEPCMAPZ-UHFFFAOYSA-N
XLogP0.68
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-2-(3-hydroxypropyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 96579570
2-[2-(1H-imidazol-5-yl)ethyl]-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 70750354
(6R)-8-pyrazin-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95889268
(6R)-8-(4-aminopyrimidin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96577748
(6S)-2-(2-hydroxyethyl)-8-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96574681
methyl 6-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-3-carboxylate
CID 70771539
8-(2-amino-7H-purin-6-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70760732
(6S)-8-(6-fluoro-4-methylquinolin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96576819
8-(5-chloro-2-pyridinyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70725420
8-(pyrazine-2-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72900123
(6S)-8-(pyrazine-2-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97137769
(6R)-8-(5-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95870080

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one (CID 70771931) is 2-(2-hydroxyethyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCCN(c3cnccn3)C2)CN1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is OFHRFPPEPCMAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c20-9-8-19-12-15(4-2-14(19)21)3-1-7-18(11-15)13-10-16-5-6-17-13/h5-6,10,20H,1-4,7-9,11-12H2.
What are the key properties of 2-(2-hydroxyethyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
2-(2-hydroxyethyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 290.37 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70771931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).