3-(morpholin-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

C12H19N3O3 — CID 64532844

IUPAC3-(morpholin-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1CC1CNCCO1
InChIInChI=1S/C12H19N3O3/c16-10-12(3-1-2-4-12)14-11(17)15(10)8-9-7-13-5-6-18-9/h9,13H,1-8H2,(H,14,17)
InChIKeyLGJJTBZXBOIMKT-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.16
Rot. Bonds2

About 3-(morpholin-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

3-(morpholin-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 64532844) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-(morpholin-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-(morpholin-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID64532844
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name3-(morpholin-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1CC1CNCCO1
InChIInChI=1S/C12H19N3O3/c16-10-12(3-1-2-4-12)14-11(17)15(10)8-9-7-13-5-6-18-9/h9,13H,1-8H2,(H,14,17)
InChIKeyLGJJTBZXBOIMKT-UHFFFAOYSA-N
XLogP-0.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(morpholin-2-ylmethyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 113287224
3-[[(2S)-oxan-2-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 41176811
2-[[(2S)-morpholin-2-yl]methyl]isoindole-1,3-dione
CID 6932395
3-(cyclobutylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 97218148
4-(morpholin-2-ylmethyl)thiomorpholine-3,5-dione
CID 104571039
2-(azetidin-1-ylmethyl)morpholine
CID 68846635
3-[2-(azetidin-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 107391096
1-methyl-3-(morpholin-2-ylmethyl)imidazol-2-one
CID 80580840
2-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride
CID 53407663
3-[(2-methylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 17454172
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyrrolidin-3-ylacetamide
CID 119450197
5-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl]oxolane-2-carbohydrazide
CID 63579176

Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-(morpholin-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 64532844) is 3-(morpholin-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-(morpholin-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-(morpholin-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1NC2(CCCC2)C(=O)N1CC1CNCCO1.
What is the InChIKey of 3-(morpholin-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is LGJJTBZXBOIMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c16-10-12(3-1-2-4-12)14-11(17)15(10)8-9-7-13-5-6-18-9/h9,13H,1-8H2,(H,14,17).
What are the key properties of 3-(morpholin-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-(morpholin-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 253.30 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 64532844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).