5-oxo-4-(piperidin-4-ylmethyl)morpholine-2-carboxylic acid

C11H18N2O4 — CID 115102949

IUPAC5-oxo-4-(piperidin-4-ylmethyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(CC2CCNCC2)C(=O)CO1
InChIInChI=1S/C11H18N2O4/c14-10-7-17-9(11(15)16)6-13(10)5-8-1-3-12-4-2-8/h8-9,12H,1-7H2,(H,15,16)
InChIKeyWINIRBSVHZKNSU-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.70
Rot. Bonds3

About 5-oxo-4-(piperidin-4-ylmethyl)morpholine-2-carboxylic acid

5-oxo-4-(piperidin-4-ylmethyl)morpholine-2-carboxylic acid (PubChem CID 115102949) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 5-oxo-4-(piperidin-4-ylmethyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-4-(piperidin-4-ylmethyl)morpholine-2-carboxylic acid
PubChem CID115102949
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name5-oxo-4-(piperidin-4-ylmethyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(CC2CCNCC2)C(=O)CO1
InChIInChI=1S/C11H18N2O4/c14-10-7-17-9(11(15)16)6-13(10)5-8-1-3-12-4-2-8/h8-9,12H,1-7H2,(H,15,16)
InChIKeyWINIRBSVHZKNSU-UHFFFAOYSA-N
XLogP-0.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-4-(piperidin-4-ylmethyl)morpholine-2-carboxylic acid?
The IUPAC name of 5-oxo-4-(piperidin-4-ylmethyl)morpholine-2-carboxylic acid (CID 115102949) is 5-oxo-4-(piperidin-4-ylmethyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 5-oxo-4-(piperidin-4-ylmethyl)morpholine-2-carboxylic acid?
The canonical SMILES for 5-oxo-4-(piperidin-4-ylmethyl)morpholine-2-carboxylic acid is O=C(O)C1CN(CC2CCNCC2)C(=O)CO1.
What is the InChIKey of 5-oxo-4-(piperidin-4-ylmethyl)morpholine-2-carboxylic acid?
The InChIKey is WINIRBSVHZKNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c14-10-7-17-9(11(15)16)6-13(10)5-8-1-3-12-4-2-8/h8-9,12H,1-7H2,(H,15,16).
What are the key properties of 5-oxo-4-(piperidin-4-ylmethyl)morpholine-2-carboxylic acid?
5-oxo-4-(piperidin-4-ylmethyl)morpholine-2-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of -0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-4-(piperidin-4-ylmethyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 115102949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).