8-[6-(3,3-dimethylazetidin-1-yl)pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one

C18H27N5O — CID 134156861

IUPAC8-[6-(3,3-dimethylazetidin-1-yl)pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CC2(CCN(c3cncc(N4CC(C)(C)C4)n3)CC2)CC1=O
InChIInChI=1S/C18H27N5O/c1-17(2)11-23(12-17)15-10-19-9-14(20-15)22-6-4-18(5-7-22)8-16(24)21(3)13-18/h9-10H,4-8,11-13H2,1-3H3
InChIKeySHSBDKQUNMMHAY-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.77
Rot. Bonds2

About 8-[6-(3,3-dimethylazetidin-1-yl)pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one

8-[6-(3,3-dimethylazetidin-1-yl)pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 134156861) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 8-[6-(3,3-dimethylazetidin-1-yl)pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[6-(3,3-dimethylazetidin-1-yl)pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID134156861
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name8-[6-(3,3-dimethylazetidin-1-yl)pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CC2(CCN(c3cncc(N4CC(C)(C)C4)n3)CC2)CC1=O
InChIInChI=1S/C18H27N5O/c1-17(2)11-23(12-17)15-10-19-9-14(20-15)22-6-4-18(5-7-22)8-16(24)21(3)13-18/h9-10H,4-8,11-13H2,1-3H3
InChIKeySHSBDKQUNMMHAY-UHFFFAOYSA-N
XLogP1.77
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-[6-(3,3-dimethylazetidin-1-yl)pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one 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 8-[6-(3,3-dimethylazetidin-1-yl)pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[6-(3,3-dimethylazetidin-1-yl)pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one (CID 134156861) is 8-[6-(3,3-dimethylazetidin-1-yl)pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[6-(3,3-dimethylazetidin-1-yl)pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[6-(3,3-dimethylazetidin-1-yl)pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one is CN1CC2(CCN(c3cncc(N4CC(C)(C)C4)n3)CC2)CC1=O.
What is the InChIKey of 8-[6-(3,3-dimethylazetidin-1-yl)pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is SHSBDKQUNMMHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-17(2)11-23(12-17)15-10-19-9-14(20-15)22-6-4-18(5-7-22)8-16(24)21(3)13-18/h9-10H,4-8,11-13H2,1-3H3.
What are the key properties of 8-[6-(3,3-dimethylazetidin-1-yl)pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
8-[6-(3,3-dimethylazetidin-1-yl)pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 329.45 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(3,3-dimethylazetidin-1-yl)pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 134156861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).