1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one

C16H23N3O — CID 21493483

IUPAC1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCC(C)N1CN(c2ccccc2)C2(CCNCC2)C1=O
InChIInChI=1S/C16H23N3O/c1-13(2)18-12-19(14-6-4-3-5-7-14)16(15(18)20)8-10-17-11-9-16/h3-7,13,17H,8-12H2,1-2H3
InChIKeyBBAFGEPFHHSVIN-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.82
Rot. Bonds2

About 1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one

1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 21493483) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID21493483
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCC(C)N1CN(c2ccccc2)C2(CCNCC2)C1=O
InChIInChI=1S/C16H23N3O/c1-13(2)18-12-19(14-6-4-3-5-7-14)16(15(18)20)8-10-17-11-9-16/h3-7,13,17H,8-12H2,1-2H3
InChIKeyBBAFGEPFHHSVIN-UHFFFAOYSA-N
XLogP1.82
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)butanoic acid
CID 118417587
tert-butyl (2S)-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-2-phenylacetate
CID 58046611
2-morpholin-2-yl-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetaldehyde
CID 175126322
methane;3-methyl-1-phenyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one
CID 158615147
3-but-2-enyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 54506307
(2-methyl-4-phenylbutan-2-yl) 2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-2-phenylacetate
CID 66652180
1-methyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 121229524
3-[(1-methylimidazol-2-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 134540408
3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 134540512
4-(3-methyl-4-oxo-1,3,8-triazaspiro[4.5]decan-1-yl)benzonitrile;hydrochloride
CID 118417161
3-[(3-acetylphenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 58046666
3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 42766451

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one (CID 21493483) is 1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one is CC(C)N1CN(c2ccccc2)C2(CCNCC2)C1=O.
What is the InChIKey of 1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is BBAFGEPFHHSVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(2)18-12-19(14-6-4-3-5-7-14)16(15(18)20)8-10-17-11-9-16/h3-7,13,17H,8-12H2,1-2H3.
What are the key properties of 1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one?
1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 273.38 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 21493483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).