1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]azocan-2-one

C15H26N2O3 — CID 51081736

IUPAC1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]azocan-2-one
SMILESCC1CN(C(=O)CN2CCCCCCC2=O)C(C)CO1
InChIInChI=1S/C15H26N2O3/c1-12-11-20-13(2)9-17(12)15(19)10-16-8-6-4-3-5-7-14(16)18/h12-13H,3-11H2,1-2H3
InChIKeyLSFXIKUQKTUEFN-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.41
Rot. Bonds2

About 1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]azocan-2-one

1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]azocan-2-one (PubChem CID 51081736) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]azocan-2-one.

Molecular Properties

Compound Name1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]azocan-2-one
PubChem CID51081736
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]azocan-2-one
SMILESCC1CN(C(=O)CN2CCCCCCC2=O)C(C)CO1
InChIInChI=1S/C15H26N2O3/c1-12-11-20-13(2)9-17(12)15(19)10-16-8-6-4-3-5-7-14(16)18/h12-13H,3-11H2,1-2H3
InChIKeyLSFXIKUQKTUEFN-UHFFFAOYSA-N
XLogP1.41
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]piperazin-2-one
CID 124693974
1-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 95290497
1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-methylsulfanylethanone
CID 94053964
4-[2-(2-oxoazocan-1-yl)acetyl]morpholine-3-carboxylic acid
CID 119216347
(2R)-1-[2-(2-oxoazocan-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119371463
1-[2-[(2R)-2-methylpiperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 82705535
1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperidin-2-one
CID 62024110
methyl 4-hydroxy-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 115971295
(2S)-N,N-dimethyl-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxamide
CID 142010852
2-cyclopentyl-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]ethanone
CID 95157279
1-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]azepan-2-one;hydrochloride
CID 119632444
2-[1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidin-2-yl]acetic acid
CID 61370469

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]azocan-2-one?
The IUPAC name of 1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]azocan-2-one (CID 51081736) is 1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]azocan-2-one.
What is the SMILES notation for 1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]azocan-2-one?
The canonical SMILES for 1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]azocan-2-one is CC1CN(C(=O)CN2CCCCCCC2=O)C(C)CO1.
What is the InChIKey of 1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]azocan-2-one?
The InChIKey is LSFXIKUQKTUEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-12-11-20-13(2)9-17(12)15(19)10-16-8-6-4-3-5-7-14(16)18/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]azocan-2-one?
1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]azocan-2-one has a molecular weight of 282.38 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]azocan-2-one is sourced from PubChem (CID 51081736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).