9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione

C16H20N2O2 — CID 64880018

IUPAC9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCc1ccc(CN2CC(=O)NC3(CCCC3)C2=O)cc1
InChIInChI=1S/C16H20N2O2/c1-12-4-6-13(7-5-12)10-18-11-14(19)17-16(15(18)20)8-2-3-9-16/h4-7H,2-3,8-11H2,1H3,(H,17,19)
InChIKeyPYUSRLJYAIVBSI-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.77
Rot. Bonds2

About 9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione

9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 64880018) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID64880018
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCc1ccc(CN2CC(=O)NC3(CCCC3)C2=O)cc1
InChIInChI=1S/C16H20N2O2/c1-12-4-6-13(7-5-12)10-18-11-14(19)17-16(15(18)20)8-2-3-9-16/h4-7H,2-3,8-11H2,1H3,(H,17,19)
InChIKeyPYUSRLJYAIVBSI-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione (CID 64880018) is 9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione is Cc1ccc(CN2CC(=O)NC3(CCCC3)C2=O)cc1.
What is the InChIKey of 9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is PYUSRLJYAIVBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-4-6-13(7-5-12)10-18-11-14(19)17-16(15(18)20)8-2-3-9-16/h4-7H,2-3,8-11H2,1H3,(H,17,19).
What are the key properties of 9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 272.35 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 64880018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).