[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrazin-2-ylmethanone

C18H26N4O3 — CID 118744289

IUPAC[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCOCC2(CCN(C3CCOCC3)C2)C1
InChIInChI=1S/C18H26N4O3/c23-17(16-11-19-4-5-20-16)22-7-10-25-14-18(13-22)3-6-21(12-18)15-1-8-24-9-2-15/h4-5,11,15H,1-3,6-10,12-14H2
InChIKeyDYEVHJQEBCXIRC-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.82
Rot. Bonds2

About [2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrazin-2-ylmethanone

[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrazin-2-ylmethanone (PubChem CID 118744289) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is [2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrazin-2-ylmethanone
PubChem CID118744289
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCOCC2(CCN(C3CCOCC3)C2)C1
InChIInChI=1S/C18H26N4O3/c23-17(16-11-19-4-5-20-16)22-7-10-25-14-18(13-22)3-6-21(12-18)15-1-8-24-9-2-15/h4-5,11,15H,1-3,6-10,12-14H2
InChIKeyDYEVHJQEBCXIRC-UHFFFAOYSA-N
XLogP0.82
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrazin-2-ylmethanone (CID 118744289) is [2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCOCC2(CCN(C3CCOCC3)C2)C1.
What is the InChIKey of [2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrazin-2-ylmethanone?
The InChIKey is DYEVHJQEBCXIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c23-17(16-11-19-4-5-20-16)22-7-10-25-14-18(13-22)3-6-21(12-18)15-1-8-24-9-2-15/h4-5,11,15H,1-3,6-10,12-14H2.
What are the key properties of [2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrazin-2-ylmethanone?
[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrazin-2-ylmethanone has a molecular weight of 346.43 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 118744289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).