[9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone

C18H28N4O2 — CID 98246218

IUPAC[9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone
SMILESCC(C)CCN1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2
InChIInChI=1S/C18H28N4O2/c1-15(2)3-8-21-9-4-18(5-10-21)14-22(11-12-24-18)17(23)16-13-19-6-7-20-16/h6-7,13,15H,3-5,8-12,14H2,1-2H3
InChIKeyTZEYPSBFIQCFNL-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.83
Rot. Bonds4

About [9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone

[9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone (PubChem CID 98246218) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is [9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone
PubChem CID98246218
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name[9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone
SMILESCC(C)CCN1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2
InChIInChI=1S/C18H28N4O2/c1-15(2)3-8-21-9-4-18(5-10-21)14-22(11-12-24-18)17(23)16-13-19-6-7-20-16/h6-7,13,15H,3-5,8-12,14H2,1-2H3
InChIKeyTZEYPSBFIQCFNL-UHFFFAOYSA-N
XLogP1.83
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone (CID 98246218) is [9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone is CC(C)CCN1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2.
What is the InChIKey of [9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone?
The InChIKey is TZEYPSBFIQCFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-15(2)3-8-21-9-4-18(5-10-21)14-22(11-12-24-18)17(23)16-13-19-6-7-20-16/h6-7,13,15H,3-5,8-12,14H2,1-2H3.
What are the key properties of [9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone?
[9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone has a molecular weight of 332.45 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 98246218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).