4-(3-oxo-3-piperazin-1-ylpropyl)morpholine-3,5-dione

C11H17N3O4 — CID 62542610

IUPAC4-(3-oxo-3-piperazin-1-ylpropyl)morpholine-3,5-dione
SMILESO=C(CCN1C(=O)COCC1=O)N1CCNCC1
InChIInChI=1S/C11H17N3O4/c15-9(13-5-2-12-3-6-13)1-4-14-10(16)7-18-8-11(14)17/h12H,1-8H2
InChIKeyNAGBYHMKGZNWIF-UHFFFAOYSA-N
MW255.27 g/mol
LogP-1.81
Rot. Bonds3

About 4-(3-oxo-3-piperazin-1-ylpropyl)morpholine-3,5-dione

4-(3-oxo-3-piperazin-1-ylpropyl)morpholine-3,5-dione (PubChem CID 62542610) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-(3-oxo-3-piperazin-1-ylpropyl)morpholine-3,5-dione.

Molecular Properties

Compound Name4-(3-oxo-3-piperazin-1-ylpropyl)morpholine-3,5-dione
PubChem CID62542610
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name4-(3-oxo-3-piperazin-1-ylpropyl)morpholine-3,5-dione
SMILESO=C(CCN1C(=O)COCC1=O)N1CCNCC1
InChIInChI=1S/C11H17N3O4/c15-9(13-5-2-12-3-6-13)1-4-14-10(16)7-18-8-11(14)17/h12H,1-8H2
InChIKeyNAGBYHMKGZNWIF-UHFFFAOYSA-N
XLogP-1.81
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-1.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one
CID 39163207
1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 119580581
1-methyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one
CID 64693847
1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 60667552
4-(2-piperidin-4-ylethyl)morpholine-3,5-dione
CID 61327774
4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidin-2-one
CID 63102108
1-morpholin-4-yl-3-piperazin-1-ylpropan-1-one;dihydrochloride
CID 53415361
1,10-di(piperazin-1-yl)decane-1,10-dione
CID 19981244
5-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one
CID 39147647
6-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one
CID 94751445
1-piperazin-1-yl-3-pyrrol-1-ylpropan-1-one
CID 82507429
1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 43416050

Frequently Asked Questions

What is the IUPAC name of 4-(3-oxo-3-piperazin-1-ylpropyl)morpholine-3,5-dione?
The IUPAC name of 4-(3-oxo-3-piperazin-1-ylpropyl)morpholine-3,5-dione (CID 62542610) is 4-(3-oxo-3-piperazin-1-ylpropyl)morpholine-3,5-dione.
What is the SMILES notation for 4-(3-oxo-3-piperazin-1-ylpropyl)morpholine-3,5-dione?
The canonical SMILES for 4-(3-oxo-3-piperazin-1-ylpropyl)morpholine-3,5-dione is O=C(CCN1C(=O)COCC1=O)N1CCNCC1.
What is the InChIKey of 4-(3-oxo-3-piperazin-1-ylpropyl)morpholine-3,5-dione?
The InChIKey is NAGBYHMKGZNWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c15-9(13-5-2-12-3-6-13)1-4-14-10(16)7-18-8-11(14)17/h12H,1-8H2.
What are the key properties of 4-(3-oxo-3-piperazin-1-ylpropyl)morpholine-3,5-dione?
4-(3-oxo-3-piperazin-1-ylpropyl)morpholine-3,5-dione has a molecular weight of 255.27 g/mol, XLogP of -1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxo-3-piperazin-1-ylpropyl)morpholine-3,5-dione is sourced from PubChem (CID 62542610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).