methyl 4-(6-acetyl-3-pyridinyl)morpholine-3-carboxylate

C13H16N2O4 — CID 104775209

IUPACmethyl 4-(6-acetyl-3-pyridinyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1c1ccc(C(C)=O)nc1
InChIInChI=1S/C13H16N2O4/c1-9(16)11-4-3-10(7-14-11)15-5-6-19-8-12(15)13(17)18-2/h3-4,7,12H,5-6,8H2,1-2H3
InChIKeyPCBDCXZDTVPKFY-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.66
Rot. Bonds3

About methyl 4-(6-acetyl-3-pyridinyl)morpholine-3-carboxylate

methyl 4-(6-acetyl-3-pyridinyl)morpholine-3-carboxylate (PubChem CID 104775209) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 4-(6-acetyl-3-pyridinyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(6-acetyl-3-pyridinyl)morpholine-3-carboxylate
PubChem CID104775209
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namemethyl 4-(6-acetyl-3-pyridinyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1c1ccc(C(C)=O)nc1
InChIInChI=1S/C13H16N2O4/c1-9(16)11-4-3-10(7-14-11)15-5-6-19-8-12(15)13(17)18-2/h3-4,7,12H,5-6,8H2,1-2H3
InChIKeyPCBDCXZDTVPKFY-UHFFFAOYSA-N
XLogP0.66
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-2-carboxylic acid
CID 104638974
methyl 4-(5-fluoropyrimidin-2-yl)morpholine-3-carboxylate
CID 104775170
4-(6-amino-3-pyridinyl)-N-methylmorpholine-3-carboxamide
CID 83106485
methyl 4-(3-methylpyrazin-2-yl)morpholine-3-carboxylate
CID 104775194
methyl 4-(3-chloro-2-pyridinyl)morpholine-3-carboxylate
CID 104775121
methyl 1-(6-carbamothioyl-3-pyridinyl)piperidine-2-carboxylate
CID 115534797
methyl 4-(3-bromo-2-pyridinyl)morpholine-3-carboxylate
CID 104775122
methyl 4-(4-cyano-3-fluorophenyl)morpholine-3-carboxylate
CID 104774602
methyl 1-(6-acetyl-3-pyridinyl)-4-methylpyrrolidine-3-carboxylate
CID 83126121
1-[5-(2,5-dimethylmorpholin-4-yl)-2-pyridinyl]ethanone
CID 83119152
methyl 2-[1-(6-acetyl-3-pyridinyl)piperidin-2-yl]acetate
CID 83126327
1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanone
CID 83118736

Frequently Asked Questions

What is the IUPAC name of methyl 4-(6-acetyl-3-pyridinyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(6-acetyl-3-pyridinyl)morpholine-3-carboxylate (CID 104775209) is methyl 4-(6-acetyl-3-pyridinyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(6-acetyl-3-pyridinyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(6-acetyl-3-pyridinyl)morpholine-3-carboxylate is COC(=O)C1COCCN1c1ccc(C(C)=O)nc1.
What is the InChIKey of methyl 4-(6-acetyl-3-pyridinyl)morpholine-3-carboxylate?
The InChIKey is PCBDCXZDTVPKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-9(16)11-4-3-10(7-14-11)15-5-6-19-8-12(15)13(17)18-2/h3-4,7,12H,5-6,8H2,1-2H3.
What are the key properties of methyl 4-(6-acetyl-3-pyridinyl)morpholine-3-carboxylate?
methyl 4-(6-acetyl-3-pyridinyl)morpholine-3-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6-acetyl-3-pyridinyl)morpholine-3-carboxylate is sourced from PubChem (CID 104775209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).