8-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C17H27N3O3 — CID 2701728

IUPAC8-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCN(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1
InChIInChI=1S/C17H27N3O3/c1-12-3-7-17(8-4-12)15(22)20(16(23)18-17)11-14(21)19-9-5-13(2)6-10-19/h12-13H,3-11H2,1-2H3,(H,18,23)
InChIKeyIHXVXXPXHNROSC-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.75
Rot. Bonds2

About 8-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

8-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 2701728) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 8-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID2701728
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name8-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCN(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1
InChIInChI=1S/C17H27N3O3/c1-12-3-7-17(8-4-12)15(22)20(16(23)18-17)11-14(21)19-9-5-13(2)6-10-19/h12-13H,3-11H2,1-2H3,(H,18,23)
InChIKeyIHXVXXPXHNROSC-UHFFFAOYSA-N
XLogP1.75
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-Methyl-1,3-diazaspiro(4.5)decane-2,4-dione
CID 12817
1,3-Diazaspiro(4.5)decane-2,4-dione, 1-methyl-
CID 13423
1,3-Diazaspiro(4.5)decane-2,4-dione, 3-methyl-
CID 12816
3-(2-Oxo-2-piperidin-1-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2701874
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-methylcyclohexyl)acetamide
CID 24982857
1,3-Diazaspiro(4.5)decane-2,4-dione, 3-(morpholinomethyl)-
CID 70178
3-[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 4682145
Methyl 1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxylate
CID 2085375
8-Methyl-3-(2-morpholino-2-oxoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2425574
N-(2-methylcyclohexyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4192869
3-[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4410214
1,8-Dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 3865268

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 2701728) is 8-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCN(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1.
What is the InChIKey of 8-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is IHXVXXPXHNROSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-12-3-7-17(8-4-12)15(22)20(16(23)18-17)11-14(21)19-9-5-13(2)6-10-19/h12-13H,3-11H2,1-2H3,(H,18,23).
What are the key properties of 8-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
8-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 321.42 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 2701728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).