4-ethyl-6-(piperidin-1-ylmethyl)morpholine-2,3-dione;hydrobromide

C12H21BrN2O3 — CID 3040600

IUPAC4-ethyl-6-(piperidin-1-ylmethyl)morpholine-2,3-dione;hydrobromide
SMILESBr.CCN1CC(CN2CCCCC2)OC(=O)C1=O
InChIInChI=1S/C12H20N2O3.BrH/c1-2-14-9-10(17-12(16)11(14)15)8-13-6-4-3-5-7-13;/h10H,2-9H2,1H3;1H
InChIKeyVRCAQNMFZIOSEW-UHFFFAOYSA-N
MW321.22 g/mol
LogP0.82
Rot. Bonds3

About 4-ethyl-6-(piperidin-1-ylmethyl)morpholine-2,3-dione;hydrobromide

4-ethyl-6-(piperidin-1-ylmethyl)morpholine-2,3-dione;hydrobromide (PubChem CID 3040600) has the molecular formula C12H21BrN2O3 and a molecular weight of 321.22 g/mol. Its IUPAC name is 4-ethyl-6-(piperidin-1-ylmethyl)morpholine-2,3-dione;hydrobromide.

Molecular Properties

Compound Name4-ethyl-6-(piperidin-1-ylmethyl)morpholine-2,3-dione;hydrobromide
PubChem CID3040600
Molecular FormulaC12H21BrN2O3
Molecular Weight321.22 g/mol
Exact Mass320.07
IUPAC Name4-ethyl-6-(piperidin-1-ylmethyl)morpholine-2,3-dione;hydrobromide
SMILESBr.CCN1CC(CN2CCCCC2)OC(=O)C1=O
InChIInChI=1S/C12H20N2O3.BrH/c1-2-14-9-10(17-12(16)11(14)15)8-13-6-4-3-5-7-13;/h10H,2-9H2,1H3;1H
InChIKeyVRCAQNMFZIOSEW-UHFFFAOYSA-N
XLogP0.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 50.82
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 4-ethyl-6-(piperidin-1-ylmethyl)morpholine-2,3-dione;hydrobromide?
The IUPAC name of 4-ethyl-6-(piperidin-1-ylmethyl)morpholine-2,3-dione;hydrobromide (CID 3040600) is 4-ethyl-6-(piperidin-1-ylmethyl)morpholine-2,3-dione;hydrobromide.
What is the SMILES notation for 4-ethyl-6-(piperidin-1-ylmethyl)morpholine-2,3-dione;hydrobromide?
The canonical SMILES for 4-ethyl-6-(piperidin-1-ylmethyl)morpholine-2,3-dione;hydrobromide is Br.CCN1CC(CN2CCCCC2)OC(=O)C1=O.
What is the InChIKey of 4-ethyl-6-(piperidin-1-ylmethyl)morpholine-2,3-dione;hydrobromide?
The InChIKey is VRCAQNMFZIOSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3.BrH/c1-2-14-9-10(17-12(16)11(14)15)8-13-6-4-3-5-7-13;/h10H,2-9H2,1H3;1H.
What are the key properties of 4-ethyl-6-(piperidin-1-ylmethyl)morpholine-2,3-dione;hydrobromide?
4-ethyl-6-(piperidin-1-ylmethyl)morpholine-2,3-dione;hydrobromide has a molecular weight of 321.22 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(piperidin-1-ylmethyl)morpholine-2,3-dione;hydrobromide is sourced from PubChem (CID 3040600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).