3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione

C14H21N3O3 — CID 7043462

IUPAC3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CCCC1
InChIInChI=1S/C14H21N3O3/c18-11(16-8-4-5-9-16)10-17-12(19)14(15-13(17)20)6-2-1-3-7-14/h1-10H2,(H,15,20)
InChIKeyXBVAYWPGHXFNJM-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.86
Rot. Bonds2

About 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione

3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 7043462) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID7043462
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CCCC1
InChIInChI=1S/C14H21N3O3/c18-11(16-8-4-5-9-16)10-17-12(19)14(15-13(17)20)6-2-1-3-7-14/h1-10H2,(H,15,20)
InChIKeyXBVAYWPGHXFNJM-UHFFFAOYSA-N
XLogP0.86
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.86
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

3-(2-oxo-2-piperazin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24694836
3-[2-(azocan-1-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 41294447
3-(3-oxo-3-piperidin-1-ylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 35809666
3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17430801
3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 119373441
methyl 1-[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxylate
CID 7609865
3-[4-oxo-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 55441904
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4212120
3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7609910
3-(2-oxopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610156
3-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 120657837
3-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 119576929

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione (CID 7043462) is 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione is O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CCCC1.
What is the InChIKey of 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is XBVAYWPGHXFNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c18-11(16-8-4-5-9-16)10-17-12(19)14(15-13(17)20)6-2-1-3-7-14/h1-10H2,(H,15,20).
What are the key properties of 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 279.34 g/mol, XLogP of 0.86, 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-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 7043462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).