1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione

C15H23N3O4 — CID 55467380

IUPAC1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCN(C(=O)C2CCC2)CC1)N1CCOCC1
InChIInChI=1S/C15H23N3O4/c19-13(12-2-1-3-12)16-4-6-17(7-5-16)14(20)15(21)18-8-10-22-11-9-18/h12H,1-11H2
InChIKeyYGXCAZWUUMITOF-UHFFFAOYSA-N
MW309.37 g/mol
LogP-0.68
Rot. Bonds1

About 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione

1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione (PubChem CID 55467380) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione.

Molecular Properties

Compound Name1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
PubChem CID55467380
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCN(C(=O)C2CCC2)CC1)N1CCOCC1
InChIInChI=1S/C15H23N3O4/c19-13(12-2-1-3-12)16-4-6-17(7-5-16)14(20)15(21)18-8-10-22-11-9-18/h12H,1-11H2
InChIKeyYGXCAZWUUMITOF-UHFFFAOYSA-N
XLogP-0.68
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 5-0.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione with MolForge

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Related Compounds

cyclopropyl-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 110346881
1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 109146746
3-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid
CID 63789770
(3-aminocyclohexyl)-morpholin-4-ylmethanone
CID 62775770
cyclohexyl(1,3-oxazolidin-3-yl)methanone
CID 110739939
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
4-(1,4-oxazepane-4-carbonyl)cyclohexane-1-carboxylic acid
CID 63783007
(1,1-dioxothian-4-yl)-morpholin-4-ylmethanone
CID 110849366
[(3R)-1-methylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 95907299
4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 67493390
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110422617
(1-tert-butylpiperidin-4-yl)-morpholin-4-ylmethanone
CID 21061611

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?
The IUPAC name of 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione (CID 55467380) is 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione.
What is the SMILES notation for 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?
The canonical SMILES for 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione is O=C(C(=O)N1CCN(C(=O)C2CCC2)CC1)N1CCOCC1.
What is the InChIKey of 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?
The InChIKey is YGXCAZWUUMITOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c19-13(12-2-1-3-12)16-4-6-17(7-5-16)14(20)15(21)18-8-10-22-11-9-18/h12H,1-11H2.
What are the key properties of 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione has a molecular weight of 309.37 g/mol, XLogP of -0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione is sourced from PubChem (CID 55467380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).