8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C13H22N4O3 — CID 82098595

IUPAC8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(CCN3CCOCC3)CC2)N1
InChIInChI=1S/C13H22N4O3/c18-11-13(15-12(19)14-11)1-3-16(4-2-13)5-6-17-7-9-20-10-8-17/h1-10H2,(H2,14,15,18,19)
InChIKeyHUUVDXMBJIONAD-UHFFFAOYSA-N
MW282.34 g/mol
LogP-1.01
Rot. Bonds3

About 8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 82098595) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID82098595
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(CCN3CCOCC3)CC2)N1
InChIInChI=1S/C13H22N4O3/c18-11-13(15-12(19)14-11)1-3-16(4-2-13)5-6-17-7-9-20-10-8-17/h1-10H2,(H2,14,15,18,19)
InChIKeyHUUVDXMBJIONAD-UHFFFAOYSA-N
XLogP-1.01
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 82098595) is 8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C2(CCN(CCN3CCOCC3)CC2)N1.
What is the InChIKey of 8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is HUUVDXMBJIONAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c18-11-13(15-12(19)14-11)1-3-16(4-2-13)5-6-17-7-9-20-10-8-17/h1-10H2,(H2,14,15,18,19).
What are the key properties of 8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 282.34 g/mol, XLogP of -1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 82098595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).