2-[4-[[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide

C21H29N7O2 — CID 130202394

IUPAC2-[4-[[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1cn(CC(N)=O)nn1)C(=O)N2
InChIInChI=1S/C21H29N7O2/c1-26(2)21(16-6-4-3-5-7-16)10-8-20(9-11-21)15-27(19(30)23-20)12-17-13-28(25-24-17)14-18(22)29/h3-7,13H,8-12,14-15H2,1-2H3,(H2,22,29)(H,23,30)
InChIKeyFFZAIIYNXSFMCO-UHFFFAOYSA-N
MW411.51 g/mol
LogP1.06
Rot. Bonds6

About 2-[4-[[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide

2-[4-[[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide (PubChem CID 130202394) has the molecular formula C21H29N7O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 2-[4-[[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide
PubChem CID130202394
Molecular FormulaC21H29N7O2
Molecular Weight411.51 g/mol
Exact Mass411.24
IUPAC Name2-[4-[[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1cn(CC(N)=O)nn1)C(=O)N2
InChIInChI=1S/C21H29N7O2/c1-26(2)21(16-6-4-3-5-7-16)10-8-20(9-11-21)15-27(19(30)23-20)12-17-13-28(25-24-17)14-18(22)29/h3-7,13H,8-12,14-15H2,1-2H3,(H2,22,29)(H,23,30)
InChIKeyFFZAIIYNXSFMCO-UHFFFAOYSA-N
XLogP1.06
TPSA109.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide?
The IUPAC name of 2-[4-[[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide (CID 130202394) is 2-[4-[[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1cn(CC(N)=O)nn1)C(=O)N2.
What is the InChIKey of 2-[4-[[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide?
The InChIKey is FFZAIIYNXSFMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O2/c1-26(2)21(16-6-4-3-5-7-16)10-8-20(9-11-21)15-27(19(30)23-20)12-17-13-28(25-24-17)14-18(22)29/h3-7,13H,8-12,14-15H2,1-2H3,(H2,22,29)(H,23,30).
What are the key properties of 2-[4-[[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide?
2-[4-[[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide has a molecular weight of 411.51 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide is sourced from PubChem (CID 130202394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).