1-hydroxy-8-[(3-methoxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C16H21N3O4 — CID 143341314

IUPAC1-hydroxy-8-[(3-methoxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1cccc(CN2CCC3(CC2)C(=O)N(C)C(=O)N3O)c1
InChIInChI=1S/C16H21N3O4/c1-17-14(20)16(19(22)15(17)21)6-8-18(9-7-16)11-12-4-3-5-13(10-12)23-2/h3-5,10,22H,6-9,11H2,1-2H3
InChIKeyPLSPVTFYUWPIMA-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.31
Rot. Bonds3

About 1-hydroxy-8-[(3-methoxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-hydroxy-8-[(3-methoxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 143341314) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-hydroxy-8-[(3-methoxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-hydroxy-8-[(3-methoxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID143341314
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name1-hydroxy-8-[(3-methoxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1cccc(CN2CCC3(CC2)C(=O)N(C)C(=O)N3O)c1
InChIInChI=1S/C16H21N3O4/c1-17-14(20)16(19(22)15(17)21)6-8-18(9-7-16)11-12-4-3-5-13(10-12)23-2/h3-5,10,22H,6-9,11H2,1-2H3
InChIKeyPLSPVTFYUWPIMA-UHFFFAOYSA-N
XLogP1.31
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-8-[(3-methoxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26226545
9-[(3-methoxyphenyl)methyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
CID 146674196
8-[(3,5-dimethoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane;1-methylpyrrole
CID 143341319
1-[2-(4-methoxyphenyl)ethyl]-8-[(3-methoxyphenyl)methyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26142333
8-[(3-hydroxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26132897
8-benzyl-3-[(3-methoxyphenyl)methyl]-1-(2-phenylmethoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 59169836
9-[(3-methoxyphenyl)methyl]-3-methyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 155875364
8-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 143341336
3-[2-(dimethylamino)ethyl]-8-[(3-methoxyphenyl)methyl]-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26224173
7-[(3-methoxyphenyl)methyl]-2-oxa-7-azaspiro[3.5]nonane
CID 97374489
8-[(3-methoxyphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72885490
3-[(3-methoxyphenyl)methyl]-8-[(3-methoxy-4-propoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 143341331

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-8-[(3-methoxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-hydroxy-8-[(3-methoxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 143341314) is 1-hydroxy-8-[(3-methoxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-hydroxy-8-[(3-methoxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-hydroxy-8-[(3-methoxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is COc1cccc(CN2CCC3(CC2)C(=O)N(C)C(=O)N3O)c1.
What is the InChIKey of 1-hydroxy-8-[(3-methoxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is PLSPVTFYUWPIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-17-14(20)16(19(22)15(17)21)6-8-18(9-7-16)11-12-4-3-5-13(10-12)23-2/h3-5,10,22H,6-9,11H2,1-2H3.
What are the key properties of 1-hydroxy-8-[(3-methoxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-hydroxy-8-[(3-methoxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 319.36 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-8-[(3-methoxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 143341314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).