2-methoxy-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone

C13H22N2O4 — CID 53015054

IUPAC2-methoxy-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C13H22N2O4/c1-18-10-12(16)15-4-2-3-11(9-15)13(17)14-5-7-19-8-6-14/h11H,2-10H2,1H3
InChIKeyLDILIIBQYOAFRQ-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.27
Rot. Bonds3

About 2-methoxy-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone

2-methoxy-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone (PubChem CID 53015054) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-methoxy-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
PubChem CID53015054
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-methoxy-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C13H22N2O4/c1-18-10-12(16)15-4-2-3-11(9-15)13(17)14-5-7-19-8-6-14/h11H,2-10H2,1H3
InChIKeyLDILIIBQYOAFRQ-UHFFFAOYSA-N
XLogP-0.27
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone (CID 53015054) is 2-methoxy-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone is COCC(=O)N1CCCC(C(=O)N2CCOCC2)C1.
What is the InChIKey of 2-methoxy-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is LDILIIBQYOAFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-18-10-12(16)15-4-2-3-11(9-15)13(17)14-5-7-19-8-6-14/h11H,2-10H2,1H3.
What are the key properties of 2-methoxy-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
2-methoxy-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 270.33 g/mol, XLogP of -0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 53015054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).