3-(2-morpholin-4-yl-2-oxoethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione

C16H25N3O4 — CID 2583790

IUPAC3-(2-morpholin-4-yl-2-oxoethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESO=C(CN1C(=O)NC2(CCCCCCC2)C1=O)N1CCOCC1
InChIInChI=1S/C16H25N3O4/c20-13(18-8-10-23-11-9-18)12-19-14(21)16(17-15(19)22)6-4-2-1-3-5-7-16/h1-12H2,(H,17,22)
InChIKeyNVMOUYATTOHHGQ-UHFFFAOYSA-N
MW323.39 g/mol
LogP0.88
Rot. Bonds2

About 3-(2-morpholin-4-yl-2-oxoethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione

3-(2-morpholin-4-yl-2-oxoethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione (PubChem CID 2583790) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-(2-morpholin-4-yl-2-oxoethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione.

Molecular Properties

Compound Name3-(2-morpholin-4-yl-2-oxoethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
PubChem CID2583790
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name3-(2-morpholin-4-yl-2-oxoethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESO=C(CN1C(=O)NC2(CCCCCCC2)C1=O)N1CCOCC1
InChIInChI=1S/C16H25N3O4/c20-13(18-8-10-23-11-9-18)12-19-14(21)16(17-15(19)22)6-4-2-1-3-5-7-16/h1-12H2,(H,17,22)
InChIKeyNVMOUYATTOHHGQ-UHFFFAOYSA-N
XLogP0.88
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-morpholin-4-yl-2-oxoethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The IUPAC name of 3-(2-morpholin-4-yl-2-oxoethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione (CID 2583790) is 3-(2-morpholin-4-yl-2-oxoethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione.
What is the SMILES notation for 3-(2-morpholin-4-yl-2-oxoethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The canonical SMILES for 3-(2-morpholin-4-yl-2-oxoethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione is O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)N1CCOCC1.
What is the InChIKey of 3-(2-morpholin-4-yl-2-oxoethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The InChIKey is NVMOUYATTOHHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c20-13(18-8-10-23-11-9-18)12-19-14(21)16(17-15(19)22)6-4-2-1-3-5-7-16/h1-12H2,(H,17,22).
What are the key properties of 3-(2-morpholin-4-yl-2-oxoethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione?
3-(2-morpholin-4-yl-2-oxoethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione has a molecular weight of 323.39 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-yl-2-oxoethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione is sourced from PubChem (CID 2583790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).