8-(1-oxo-1-phenylpropan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C16H19N3O3 — CID 82098584

IUPAC8-(1-oxo-1-phenylpropan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C(=O)c1ccccc1)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C16H19N3O3/c1-11(13(20)12-5-3-2-4-6-12)19-9-7-16(8-10-19)14(21)17-15(22)18-16/h2-6,11H,7-10H2,1H3,(H2,17,18,21,22)
InChIKeyIDGIPJVGLWNHGW-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.93
Rot. Bonds3

About 8-(1-oxo-1-phenylpropan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(1-oxo-1-phenylpropan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 82098584) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 8-(1-oxo-1-phenylpropan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(1-oxo-1-phenylpropan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID82098584
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name8-(1-oxo-1-phenylpropan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C(=O)c1ccccc1)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C16H19N3O3/c1-11(13(20)12-5-3-2-4-6-12)19-9-7-16(8-10-19)14(21)17-15(22)18-16/h2-6,11H,7-10H2,1H3,(H2,17,18,21,22)
InChIKeyIDGIPJVGLWNHGW-UHFFFAOYSA-N
XLogP0.93
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-thiomorpholin-4-ylpropan-1-one
CID 60863276
2-(4,4-dimethylazepan-1-yl)-1-phenylpropan-1-one
CID 65282863
1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 21114962
butyl 2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propanoate
CID 82098553
1'-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96573129
1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103498907
2-(4-aminopiperidin-1-yl)-1-phenylpropan-1-one
CID 62031296
(5S)-7-[(2R,3S)-3-methyl-2-phenylpentanoyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 98767916
1'-propan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70767469
8-[(2S)-2-ethoxy-2-phenylacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 95583523
N-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)phenyl]acetamide
CID 36871410
8-(2-ethoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 47017588

Frequently Asked Questions

What is the IUPAC name of 8-(1-oxo-1-phenylpropan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(1-oxo-1-phenylpropan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 82098584) is 8-(1-oxo-1-phenylpropan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(1-oxo-1-phenylpropan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(1-oxo-1-phenylpropan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C(=O)c1ccccc1)N1CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of 8-(1-oxo-1-phenylpropan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is IDGIPJVGLWNHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11(13(20)12-5-3-2-4-6-12)19-9-7-16(8-10-19)14(21)17-15(22)18-16/h2-6,11H,7-10H2,1H3,(H2,17,18,21,22).
What are the key properties of 8-(1-oxo-1-phenylpropan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(1-oxo-1-phenylpropan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 301.35 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-oxo-1-phenylpropan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 82098584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).