ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone

C13H20N2O2 — CID 145421407

IUPACethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
SMILESCC.CC(=O)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C11H14N2O2.C2H6/c1-9(14)10-2-3-11(12-8-10)13-4-6-15-7-5-13;1-2/h2-3,8H,4-7H2,1H3;1-2H3
InChIKeyARVDIBHDWSMXAI-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.15
Rot. Bonds2

About ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone

ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone (PubChem CID 145421407) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone.

Molecular Properties

Compound Nameethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
PubChem CID145421407
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nameethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
SMILESCC.CC(=O)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C11H14N2O2.C2H6/c1-9(14)10-2-3-11(12-8-10)13-4-6-15-7-5-13;1-2/h2-3,8H,4-7H2,1H3;1-2H3
InChIKeyARVDIBHDWSMXAI-UHFFFAOYSA-N
XLogP2.15
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 170895839
1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid
CID 66656112
1-[6-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]-3-pyridinyl]ethanone
CID 95445127
N'-(4-fluorobenzoyl)-6-morpholin-4-ylpyridine-3-carbohydrazide
CID 46697479
(4-acetamidophenyl) 6-morpholin-4-ylpyridine-3-carboxylate
CID 37325010
N-(4-hydroxyphenyl)-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 84570914
1-[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanone
CID 115969554
N-(5-methyl-2-pyridinyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 18142509
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
1-[6-(3,4-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone
CID 115886198
N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17424831
N-methyl-N-(4-methylcyclohexyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 47018145

Frequently Asked Questions

What is the IUPAC name of ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone?
The IUPAC name of ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone (CID 145421407) is ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone.
What is the SMILES notation for ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone?
The canonical SMILES for ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone is CC.CC(=O)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone?
The InChIKey is ARVDIBHDWSMXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2.C2H6/c1-9(14)10-2-3-11(12-8-10)13-4-6-15-7-5-13;1-2/h2-3,8H,4-7H2,1H3;1-2H3.
What are the key properties of ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone?
ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone has a molecular weight of 236.31 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone is sourced from PubChem (CID 145421407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).