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

C21H30N6O2 — CID 130202388

IUPAC8-(dimethylamino)-3-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1cn(CCO)nn1)C(=O)N2
InChIInChI=1S/C21H30N6O2/c1-25(2)21(17-6-4-3-5-7-17)10-8-20(9-11-21)16-26(19(29)22-20)14-18-15-27(12-13-28)24-23-18/h3-7,15,28H,8-14,16H2,1-2H3,(H,22,29)
InChIKeyIHUFDVVXUQAUSC-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.57
Rot. Bonds6

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

8-(dimethylamino)-3-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130202388) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130202388
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC Name8-(dimethylamino)-3-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1cn(CCO)nn1)C(=O)N2
InChIInChI=1S/C21H30N6O2/c1-25(2)21(17-6-4-3-5-7-17)10-8-20(9-11-21)16-26(19(29)22-20)14-18-15-27(12-13-28)24-23-18/h3-7,15,28H,8-14,16H2,1-2H3,(H,22,29)
InChIKeyIHUFDVVXUQAUSC-UHFFFAOYSA-N
XLogP1.57
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130202388) is 8-(dimethylamino)-3-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1cn(CCO)nn1)C(=O)N2.
What is the InChIKey of 8-(dimethylamino)-3-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is IHUFDVVXUQAUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-25(2)21(17-6-4-3-5-7-17)10-8-20(9-11-21)16-26(19(29)22-20)14-18-15-27(12-13-28)24-23-18/h3-7,15,28H,8-14,16H2,1-2H3,(H,22,29).
What are the key properties of 8-(dimethylamino)-3-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 398.51 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130202388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).