3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C16H20N2O2 — CID 4810094

IUPAC3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1ccc(CN2C(=O)NC3(CCCCC3)C2=O)cc1
InChIInChI=1S/C16H20N2O2/c1-12-5-7-13(8-6-12)11-18-14(19)16(17-15(18)20)9-3-2-4-10-16/h5-8H,2-4,9-11H2,1H3,(H,17,20)
InChIKeyYAFVIDHMJDXOIW-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.75
Rot. Bonds2

About 3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 4810094) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID4810094
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1ccc(CN2C(=O)NC3(CCCCC3)C2=O)cc1
InChIInChI=1S/C16H20N2O2/c1-12-5-7-13(8-6-12)11-18-14(19)16(17-15(18)20)9-3-2-4-10-16/h5-8H,2-4,9-11H2,1H3,(H,17,20)
InChIKeyYAFVIDHMJDXOIW-UHFFFAOYSA-N
XLogP2.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 112774081
3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 130201562
3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4825856
3-[[4-(hydroxymethyl)phenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 110005115
3-[(4-methylphenyl)methyl]-8-methylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109557
7-[[4-(hydroxymethyl)phenyl]methyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 110005331
3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 27247656
9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64880018
3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2527738
3-[(3-methoxy-4-methylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 100677498
3-[[6-(methylamino)-3-pyridinyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 62207122
3-[(2-chloro-4-pyridinyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 51129751

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 4810094) is 3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is Cc1ccc(CN2C(=O)NC3(CCCCC3)C2=O)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is YAFVIDHMJDXOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-5-7-13(8-6-12)11-18-14(19)16(17-15(18)20)9-3-2-4-10-16/h5-8H,2-4,9-11H2,1H3,(H,17,20).
What are the key properties of 3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 272.35 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 4810094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).