4-[1-(2-methylmorpholin-4-yl)-1-oxopropan-2-yl]oxybenzonitrile

C15H18N2O3 — CID 51293115

IUPAC4-[1-(2-methylmorpholin-4-yl)-1-oxopropan-2-yl]oxybenzonitrile
SMILESCC1CN(C(=O)C(C)Oc2ccc(C#N)cc2)CCO1
InChIInChI=1S/C15H18N2O3/c1-11-10-17(7-8-19-11)15(18)12(2)20-14-5-3-13(9-16)4-6-14/h3-6,11-12H,7-8,10H2,1-2H3
InChIKeyFQFKMGXUDVZISE-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.57
Rot. Bonds3

About 4-[1-(2-methylmorpholin-4-yl)-1-oxopropan-2-yl]oxybenzonitrile

4-[1-(2-methylmorpholin-4-yl)-1-oxopropan-2-yl]oxybenzonitrile (PubChem CID 51293115) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[1-(2-methylmorpholin-4-yl)-1-oxopropan-2-yl]oxybenzonitrile.

Molecular Properties

Compound Name4-[1-(2-methylmorpholin-4-yl)-1-oxopropan-2-yl]oxybenzonitrile
PubChem CID51293115
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-[1-(2-methylmorpholin-4-yl)-1-oxopropan-2-yl]oxybenzonitrile
SMILESCC1CN(C(=O)C(C)Oc2ccc(C#N)cc2)CCO1
InChIInChI=1S/C15H18N2O3/c1-11-10-17(7-8-19-11)15(18)12(2)20-14-5-3-13(9-16)4-6-14/h3-6,11-12H,7-8,10H2,1-2H3
InChIKeyFQFKMGXUDVZISE-UHFFFAOYSA-N
XLogP1.57
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3-cyanophenoxy)propanoyl]morpholine-2-carboxylic acid
CID 154750600
4-[4-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]oxyphenyl]benzonitrile
CID 41310830
4-[1-[4-(azepane-1-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 46483655
ethyl (3R)-1-[(2S)-2-(4-cyanophenoxy)propanoyl]piperidine-3-carboxylate
CID 94014547
ethyl 1-[2-(4-cyanophenoxy)propanoyl]piperidine-4-carboxylate
CID 47005116
4-[1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 71926860
4-[(2S)-1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 96514389
2-[4-[(2S)-2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-methylacetamide
CID 94868085
4-[1-(4-but-3-ynylpiperazin-1-yl)-1-oxopropan-2-yl]oxybenzonitrile
CID 47079281
4-[1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 134020958
4-[2-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-oxoethoxy]benzonitrile
CID 56795828
4-[(2S)-1-[4-[(3R)-1,1-dioxothiolane-3-carbonyl]piperazin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 35623501

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methylmorpholin-4-yl)-1-oxopropan-2-yl]oxybenzonitrile?
The IUPAC name of 4-[1-(2-methylmorpholin-4-yl)-1-oxopropan-2-yl]oxybenzonitrile (CID 51293115) is 4-[1-(2-methylmorpholin-4-yl)-1-oxopropan-2-yl]oxybenzonitrile.
What is the SMILES notation for 4-[1-(2-methylmorpholin-4-yl)-1-oxopropan-2-yl]oxybenzonitrile?
The canonical SMILES for 4-[1-(2-methylmorpholin-4-yl)-1-oxopropan-2-yl]oxybenzonitrile is CC1CN(C(=O)C(C)Oc2ccc(C#N)cc2)CCO1.
What is the InChIKey of 4-[1-(2-methylmorpholin-4-yl)-1-oxopropan-2-yl]oxybenzonitrile?
The InChIKey is FQFKMGXUDVZISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-11-10-17(7-8-19-11)15(18)12(2)20-14-5-3-13(9-16)4-6-14/h3-6,11-12H,7-8,10H2,1-2H3.
What are the key properties of 4-[1-(2-methylmorpholin-4-yl)-1-oxopropan-2-yl]oxybenzonitrile?
4-[1-(2-methylmorpholin-4-yl)-1-oxopropan-2-yl]oxybenzonitrile has a molecular weight of 274.32 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methylmorpholin-4-yl)-1-oxopropan-2-yl]oxybenzonitrile is sourced from PubChem (CID 51293115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).