2-methyl-8-(2-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C17H23N3O — CID 46991605

IUPAC2-methyl-8-(2-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC1=NC2(CCN(CC(C)c3ccccc3)CC2)C(=O)N1
InChIInChI=1S/C17H23N3O/c1-13(15-6-4-3-5-7-15)12-20-10-8-17(9-11-20)16(21)18-14(2)19-17/h3-7,13H,8-12H2,1-2H3,(H,18,19,21)
InChIKeySSFMASMFDLGIMP-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.17
Rot. Bonds3

About 2-methyl-8-(2-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-methyl-8-(2-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 46991605) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methyl-8-(2-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-methyl-8-(2-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID46991605
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-methyl-8-(2-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC1=NC2(CCN(CC(C)c3ccccc3)CC2)C(=O)N1
InChIInChI=1S/C17H23N3O/c1-13(15-6-4-3-5-7-15)12-20-10-8-17(9-11-20)16(21)18-14(2)19-17/h3-7,13H,8-12H2,1-2H3,(H,18,19,21)
InChIKeySSFMASMFDLGIMP-UHFFFAOYSA-N
XLogP2.17
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-benzyl-9-(2-ethylhexyl)-4,5-dihydro-1H-purin-6-one
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2-benzyl-9-octyl-4,5-dihydro-1H-purin-6-one
CID 155540253
2-benzyl-9-butyl-4,5-dihydro-1H-purin-6-one
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Imidazo(1,2-a)pyridin-3(2H)-one, 5,6,7,8-tetrahydro-2-(1-methylethyl)-6-phenyl-, monohydrochloride
CID 3059519
2-(Dimethylamino)-8-(2-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46987585
2-(Dimethylamino)-8-[(2E)-3-phenylprop-2-EN-1-YL]-1,3,8-triazaspiro[4.5]dec-1-EN-4-one
CID 46983986
5,5-Bis(4-fluorophenyl)-2-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one
CID 10387394
2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride
CID 66816846

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(2-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-methyl-8-(2-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 46991605) is 2-methyl-8-(2-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-methyl-8-(2-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-methyl-8-(2-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CC1=NC2(CCN(CC(C)c3ccccc3)CC2)C(=O)N1.
What is the InChIKey of 2-methyl-8-(2-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is SSFMASMFDLGIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13(15-6-4-3-5-7-15)12-20-10-8-17(9-11-20)16(21)18-14(2)19-17/h3-7,13H,8-12H2,1-2H3,(H,18,19,21).
What are the key properties of 2-methyl-8-(2-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-methyl-8-(2-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 285.39 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(2-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 46991605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).