1-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione

C17H22N2O2 — CID 64880512

IUPAC1-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCc1cccc(CN2C(=O)CNC(=O)C23CCCCC3)c1
InChIInChI=1S/C17H22N2O2/c1-13-6-5-7-14(10-13)12-19-15(20)11-18-16(21)17(19)8-3-2-4-9-17/h5-7,10H,2-4,8-9,11-12H2,1H3,(H,18,21)
InChIKeySOFPOUIQPVHQPZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.16
Rot. Bonds2

About 1-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione

1-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 64880512) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID64880512
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCc1cccc(CN2C(=O)CNC(=O)C23CCCCC3)c1
InChIInChI=1S/C17H22N2O2/c1-13-6-5-7-14(10-13)12-19-15(20)11-18-16(21)17(19)8-3-2-4-9-17/h5-7,10H,2-4,8-9,11-12H2,1H3,(H,18,21)
InChIKeySOFPOUIQPVHQPZ-UHFFFAOYSA-N
XLogP2.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(1-methylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64881279
6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64880504
1-[(3,5-dimethylphenyl)methyl]-6,6-dimethylpiperazine-2,5-dione
CID 64880486
6-[(3-methylphenyl)methyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one
CID 115066993
6-[(3-chlorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64874117
1-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]cyclohexan-1-amine
CID 64679512
9-cyclopropyl-1-[(3-methylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162626884
4-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64831883
5-methyl-1-[(3-methylphenyl)methyl]-1,3-diazinane-2,4-dione
CID 76875693
1-[(5,5-dimethyloxolan-2-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 116524861
3-[1-[3-(chloromethyl)phenyl]cyclohexyl]imidazolidine-2,4-dione
CID 70509457
1-[[methyl-[(3-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine
CID 61411916

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 1-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 64880512) is 1-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione is Cc1cccc(CN2C(=O)CNC(=O)C23CCCCC3)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is SOFPOUIQPVHQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13-6-5-7-14(10-13)12-19-15(20)11-18-16(21)17(19)8-3-2-4-9-17/h5-7,10H,2-4,8-9,11-12H2,1H3,(H,18,21).
What are the key properties of 1-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
1-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 286.38 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 64880512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).