3-(2-oxo-2-piperidin-1-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione

C16H25N3O3 — CID 2701874

IUPAC3-(2-oxo-2-piperidin-1-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESO=C(CN1C(=O)NC2(CCCCCC2)C1=O)N1CCCCC1
InChIInChI=1S/C16H25N3O3/c20-13(18-10-6-3-7-11-18)12-19-14(21)16(17-15(19)22)8-4-1-2-5-9-16/h1-12H2,(H,17,22)
InChIKeyVBTAPOKPWPLYOX-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.64
Rot. Bonds2

About 3-(2-oxo-2-piperidin-1-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione

3-(2-oxo-2-piperidin-1-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione (PubChem CID 2701874) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-(2-oxo-2-piperidin-1-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name3-(2-oxo-2-piperidin-1-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
PubChem CID2701874
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name3-(2-oxo-2-piperidin-1-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESO=C(CN1C(=O)NC2(CCCCCC2)C1=O)N1CCCCC1
InChIInChI=1S/C16H25N3O3/c20-13(18-10-6-3-7-11-18)12-19-14(21)16(17-15(19)22)8-4-1-2-5-9-16/h1-12H2,(H,17,22)
InChIKeyVBTAPOKPWPLYOX-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-2-piperidin-1-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 3-(2-oxo-2-piperidin-1-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione (CID 2701874) is 3-(2-oxo-2-piperidin-1-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 3-(2-oxo-2-piperidin-1-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 3-(2-oxo-2-piperidin-1-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione is O=C(CN1C(=O)NC2(CCCCCC2)C1=O)N1CCCCC1.
What is the InChIKey of 3-(2-oxo-2-piperidin-1-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione?
The InChIKey is VBTAPOKPWPLYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c20-13(18-10-6-3-7-11-18)12-19-14(21)16(17-15(19)22)8-4-1-2-5-9-16/h1-12H2,(H,17,22).
What are the key properties of 3-(2-oxo-2-piperidin-1-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione?
3-(2-oxo-2-piperidin-1-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione has a molecular weight of 307.39 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-2-piperidin-1-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 2701874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).