3-morpholin-4-yl-1-piperidin-1-ylpropane-1,2-dione

C12H20N2O3 — CID 91515216

IUPAC3-morpholin-4-yl-1-piperidin-1-ylpropane-1,2-dione
SMILESO=C(CN1CCOCC1)C(=O)N1CCCCC1
InChIInChI=1S/C12H20N2O3/c15-11(10-13-6-8-17-9-7-13)12(16)14-4-2-1-3-5-14/h1-10H2
InChIKeyOFXPYZKQTSPPBQ-UHFFFAOYSA-N
MW240.30 g/mol
LogP-0.10
Rot. Bonds3

About 3-morpholin-4-yl-1-piperidin-1-ylpropane-1,2-dione

3-morpholin-4-yl-1-piperidin-1-ylpropane-1,2-dione (PubChem CID 91515216) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-morpholin-4-yl-1-piperidin-1-ylpropane-1,2-dione.

Molecular Properties

Compound Name3-morpholin-4-yl-1-piperidin-1-ylpropane-1,2-dione
PubChem CID91515216
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-morpholin-4-yl-1-piperidin-1-ylpropane-1,2-dione
SMILESO=C(CN1CCOCC1)C(=O)N1CCCCC1
InChIInChI=1S/C12H20N2O3/c15-11(10-13-6-8-17-9-7-13)12(16)14-4-2-1-3-5-14/h1-10H2
InChIKeyOFXPYZKQTSPPBQ-UHFFFAOYSA-N
XLogP-0.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-1-piperidin-1-ylpropane-1,2-dione?
The IUPAC name of 3-morpholin-4-yl-1-piperidin-1-ylpropane-1,2-dione (CID 91515216) is 3-morpholin-4-yl-1-piperidin-1-ylpropane-1,2-dione.
What is the SMILES notation for 3-morpholin-4-yl-1-piperidin-1-ylpropane-1,2-dione?
The canonical SMILES for 3-morpholin-4-yl-1-piperidin-1-ylpropane-1,2-dione is O=C(CN1CCOCC1)C(=O)N1CCCCC1.
What is the InChIKey of 3-morpholin-4-yl-1-piperidin-1-ylpropane-1,2-dione?
The InChIKey is OFXPYZKQTSPPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-11(10-13-6-8-17-9-7-13)12(16)14-4-2-1-3-5-14/h1-10H2.
What are the key properties of 3-morpholin-4-yl-1-piperidin-1-ylpropane-1,2-dione?
3-morpholin-4-yl-1-piperidin-1-ylpropane-1,2-dione has a molecular weight of 240.30 g/mol, XLogP of -0.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1-piperidin-1-ylpropane-1,2-dione is sourced from PubChem (CID 91515216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).