8-(dimethylamino)-2-(5-methylpyrazin-2-yl)-8-phenyl-2-azaspiro[4.5]decan-3-one

C22H28N4O — CID 118666554

IUPAC8-(dimethylamino)-2-(5-methylpyrazin-2-yl)-8-phenyl-2-azaspiro[4.5]decan-3-one
SMILESCc1cnc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)CC2=O)cn1
InChIInChI=1S/C22H28N4O/c1-17-14-24-19(15-23-17)26-16-21(13-20(26)27)9-11-22(12-10-21,25(2)3)18-7-5-4-6-8-18/h4-8,14-15H,9-13,16H2,1-3H3
InChIKeyXUAHYQLVFOLWFF-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.54
Rot. Bonds3

About 8-(dimethylamino)-2-(5-methylpyrazin-2-yl)-8-phenyl-2-azaspiro[4.5]decan-3-one

8-(dimethylamino)-2-(5-methylpyrazin-2-yl)-8-phenyl-2-azaspiro[4.5]decan-3-one (PubChem CID 118666554) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 8-(dimethylamino)-2-(5-methylpyrazin-2-yl)-8-phenyl-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(dimethylamino)-2-(5-methylpyrazin-2-yl)-8-phenyl-2-azaspiro[4.5]decan-3-one
PubChem CID118666554
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name8-(dimethylamino)-2-(5-methylpyrazin-2-yl)-8-phenyl-2-azaspiro[4.5]decan-3-one
SMILESCc1cnc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)CC2=O)cn1
InChIInChI=1S/C22H28N4O/c1-17-14-24-19(15-23-17)26-16-21(13-20(26)27)9-11-22(12-10-21,25(2)3)18-7-5-4-6-8-18/h4-8,14-15H,9-13,16H2,1-3H3
InChIKeyXUAHYQLVFOLWFF-UHFFFAOYSA-N
XLogP3.54
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(dimethylamino)-2-(5-methylpyrazin-2-yl)-8-phenyl-2-azaspiro[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-(dimethylamino)-2-(5-methylpyrazin-2-yl)-8-phenyl-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 8-(dimethylamino)-2-(5-methylpyrazin-2-yl)-8-phenyl-2-azaspiro[4.5]decan-3-one (CID 118666554) is 8-(dimethylamino)-2-(5-methylpyrazin-2-yl)-8-phenyl-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(dimethylamino)-2-(5-methylpyrazin-2-yl)-8-phenyl-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(dimethylamino)-2-(5-methylpyrazin-2-yl)-8-phenyl-2-azaspiro[4.5]decan-3-one is Cc1cnc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)CC2=O)cn1.
What is the InChIKey of 8-(dimethylamino)-2-(5-methylpyrazin-2-yl)-8-phenyl-2-azaspiro[4.5]decan-3-one?
The InChIKey is XUAHYQLVFOLWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-17-14-24-19(15-23-17)26-16-21(13-20(26)27)9-11-22(12-10-21,25(2)3)18-7-5-4-6-8-18/h4-8,14-15H,9-13,16H2,1-3H3.
What are the key properties of 8-(dimethylamino)-2-(5-methylpyrazin-2-yl)-8-phenyl-2-azaspiro[4.5]decan-3-one?
8-(dimethylamino)-2-(5-methylpyrazin-2-yl)-8-phenyl-2-azaspiro[4.5]decan-3-one has a molecular weight of 364.49 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-2-(5-methylpyrazin-2-yl)-8-phenyl-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 118666554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).