2-benzyl-10-pyrazin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-3-one

C19H22N4O2 — CID 131679061

IUPAC2-benzyl-10-pyrazin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
SMILESO=C1CC2(COCCN(c3cnccn3)C2)CN1Cc1ccccc1
InChIInChI=1S/C19H22N4O2/c24-18-10-19(14-23(18)12-16-4-2-1-3-5-16)13-22(8-9-25-15-19)17-11-20-6-7-21-17/h1-7,11H,8-10,12-15H2
InChIKeyFWSPLNFLRGDGIF-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.73
Rot. Bonds3

About 2-benzyl-10-pyrazin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-3-one

2-benzyl-10-pyrazin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-3-one (PubChem CID 131679061) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-benzyl-10-pyrazin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-3-one.

Molecular Properties

Compound Name2-benzyl-10-pyrazin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
PubChem CID131679061
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-benzyl-10-pyrazin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
SMILESO=C1CC2(COCCN(c3cnccn3)C2)CN1Cc1ccccc1
InChIInChI=1S/C19H22N4O2/c24-18-10-19(14-23(18)12-16-4-2-1-3-5-16)13-22(8-9-25-15-19)17-11-20-6-7-21-17/h1-7,11H,8-10,12-15H2
InChIKeyFWSPLNFLRGDGIF-UHFFFAOYSA-N
XLogP1.73
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-10-pyrazin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-3-one?
The IUPAC name of 2-benzyl-10-pyrazin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-3-one (CID 131679061) is 2-benzyl-10-pyrazin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-3-one.
What is the SMILES notation for 2-benzyl-10-pyrazin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-3-one?
The canonical SMILES for 2-benzyl-10-pyrazin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-3-one is O=C1CC2(COCCN(c3cnccn3)C2)CN1Cc1ccccc1.
What is the InChIKey of 2-benzyl-10-pyrazin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-3-one?
The InChIKey is FWSPLNFLRGDGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18-10-19(14-23(18)12-16-4-2-1-3-5-16)13-22(8-9-25-15-19)17-11-20-6-7-21-17/h1-7,11H,8-10,12-15H2.
What are the key properties of 2-benzyl-10-pyrazin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-3-one?
2-benzyl-10-pyrazin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-3-one has a molecular weight of 338.41 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-10-pyrazin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-3-one is sourced from PubChem (CID 131679061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).