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

C16H25N3O3 — CID 2622709

IUPAC3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)CC1
InChIInChI=1S/C16H25N3O3/c1-12-5-9-18(10-6-12)13(20)11-19-14(21)16(17-15(19)22)7-3-2-4-8-16/h12H,2-11H2,1H3,(H,17,22)
InChIKeyUPPXFHVNFASFJG-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.50
Rot. Bonds2

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

3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 2622709) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID2622709
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)CC1
InChIInChI=1S/C16H25N3O3/c1-12-5-9-18(10-6-12)13(20)11-19-14(21)16(17-15(19)22)7-3-2-4-8-16/h12H,2-11H2,1H3,(H,17,22)
InChIKeyUPPXFHVNFASFJG-UHFFFAOYSA-N
XLogP1.50
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
1,3,8-Triazaspiro(4.5)decane-2,4-dione, 8-acetyl-3-dodecyl-7,7,9,9-tetramethyl-
CID 93474
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
3-(2-Morpholino-2-oxoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2450111
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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 2622709) is 3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)CC1.
What is the InChIKey of 3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is UPPXFHVNFASFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-12-5-9-18(10-6-12)13(20)11-19-14(21)16(17-15(19)22)7-3-2-4-8-16/h12H,2-11H2,1H3,(H,17,22).
What are the key properties of 3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 307.39 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 2622709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).