1-(5-ethoxy-3-pyridinyl)-2-morpholin-3-ylethanone

C13H18N2O3 — CID 116595835

IUPAC1-(5-ethoxy-3-pyridinyl)-2-morpholin-3-ylethanone
SMILESCCOc1cncc(C(=O)CC2COCCN2)c1
InChIInChI=1S/C13H18N2O3/c1-2-18-12-5-10(7-14-8-12)13(16)6-11-9-17-4-3-15-11/h5,7-8,11,15H,2-4,6,9H2,1H3
InChIKeyHAHMROJPSHMXKI-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.04
Rot. Bonds5

About 1-(5-ethoxy-3-pyridinyl)-2-morpholin-3-ylethanone

1-(5-ethoxy-3-pyridinyl)-2-morpholin-3-ylethanone (PubChem CID 116595835) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(5-ethoxy-3-pyridinyl)-2-morpholin-3-ylethanone.

Molecular Properties

Compound Name1-(5-ethoxy-3-pyridinyl)-2-morpholin-3-ylethanone
PubChem CID116595835
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-(5-ethoxy-3-pyridinyl)-2-morpholin-3-ylethanone
SMILESCCOc1cncc(C(=O)CC2COCCN2)c1
InChIInChI=1S/C13H18N2O3/c1-2-18-12-5-10(7-14-8-12)13(16)6-11-9-17-4-3-15-11/h5,7-8,11,15H,2-4,6,9H2,1H3
InChIKeyHAHMROJPSHMXKI-UHFFFAOYSA-N
XLogP1.04
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethoxy-3-fluorophenyl)-2-morpholin-3-ylethanone
CID 116919897
2-morpholin-3-yl-1-pyridin-3-ylethanone
CID 115777328
1-(6-methoxynaphthalen-2-yl)-2-morpholin-3-ylethanone
CID 81469263
2-morpholin-3-yl-1-phenylethanone
CID 14753828
2-[(3R)-morpholin-3-yl]-1-phenylethanone
CID 95396636
1-(5-methylthiophen-3-yl)-2-morpholin-3-ylethanone
CID 116595850
(4-ethoxyoxan-4-yl)-(5-ethoxy-3-pyridinyl)methanone
CID 116748926
1-(2-amino-5-methyl-3-pyridinyl)-2-morpholin-3-ylethanone
CID 116595819
1-(5-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-2-ylethanone
CID 116560870
2-(cyclopropylamino)-1-(5-ethoxy-3-pyridinyl)ethanone
CID 116555212
3-(2-morpholin-3-ylacetyl)benzonitrile
CID 81467194
1-(2-methoxy-4,5-dimethylphenyl)-2-morpholin-3-ylethanone
CID 116919891

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-3-pyridinyl)-2-morpholin-3-ylethanone?
The IUPAC name of 1-(5-ethoxy-3-pyridinyl)-2-morpholin-3-ylethanone (CID 116595835) is 1-(5-ethoxy-3-pyridinyl)-2-morpholin-3-ylethanone.
What is the SMILES notation for 1-(5-ethoxy-3-pyridinyl)-2-morpholin-3-ylethanone?
The canonical SMILES for 1-(5-ethoxy-3-pyridinyl)-2-morpholin-3-ylethanone is CCOc1cncc(C(=O)CC2COCCN2)c1.
What is the InChIKey of 1-(5-ethoxy-3-pyridinyl)-2-morpholin-3-ylethanone?
The InChIKey is HAHMROJPSHMXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-18-12-5-10(7-14-8-12)13(16)6-11-9-17-4-3-15-11/h5,7-8,11,15H,2-4,6,9H2,1H3.
What are the key properties of 1-(5-ethoxy-3-pyridinyl)-2-morpholin-3-ylethanone?
1-(5-ethoxy-3-pyridinyl)-2-morpholin-3-ylethanone has a molecular weight of 250.30 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-3-pyridinyl)-2-morpholin-3-ylethanone is sourced from PubChem (CID 116595835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).