1-(2-methyl-1,4-oxazepan-4-yl)-2-morpholin-2-ylethanone;hydrochloride

C12H23ClN2O3 — CID 119771962

IUPAC1-(2-methyl-1,4-oxazepan-4-yl)-2-morpholin-2-ylethanone;hydrochloride
SMILESCC1CN(C(=O)CC2CNCCO2)CCCO1.Cl
InChIInChI=1S/C12H22N2O3.ClH/c1-10-9-14(4-2-5-16-10)12(15)7-11-8-13-3-6-17-11;/h10-11,13H,2-9H2,1H3;1H
InChIKeyGWRWLFLXRJDIRT-UHFFFAOYSA-N
MW278.78 g/mol
LogP0.42
Rot. Bonds2

About 1-(2-methyl-1,4-oxazepan-4-yl)-2-morpholin-2-ylethanone;hydrochloride

1-(2-methyl-1,4-oxazepan-4-yl)-2-morpholin-2-ylethanone;hydrochloride (PubChem CID 119771962) has the molecular formula C12H23ClN2O3 and a molecular weight of 278.78 g/mol. Its IUPAC name is 1-(2-methyl-1,4-oxazepan-4-yl)-2-morpholin-2-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-(2-methyl-1,4-oxazepan-4-yl)-2-morpholin-2-ylethanone;hydrochloride
PubChem CID119771962
Molecular FormulaC12H23ClN2O3
Molecular Weight278.78 g/mol
Exact Mass278.14
IUPAC Name1-(2-methyl-1,4-oxazepan-4-yl)-2-morpholin-2-ylethanone;hydrochloride
SMILESCC1CN(C(=O)CC2CNCCO2)CCCO1.Cl
InChIInChI=1S/C12H22N2O3.ClH/c1-10-9-14(4-2-5-16-10)12(15)7-11-8-13-3-6-17-11;/h10-11,13H,2-9H2,1H3;1H
InChIKeyGWRWLFLXRJDIRT-UHFFFAOYSA-N
XLogP0.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-2-morpholin-2-ylethanone
CID 66433560
1-(2-ethylmorpholin-4-yl)-2-morpholin-2-ylethanone
CID 66432993
2-(azetidin-3-yl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 64609795
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-morpholin-2-ylethanone
CID 107217362
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-morpholin-2-ylethanone;hydrochloride
CID 119788325
1-(2-methyl-1,4-oxazepan-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119771971
1-(4-hydroxy-4-methylazepan-1-yl)-2-morpholin-2-ylethanone
CID 107404309
2-morpholin-2-yl-1-(3-propoxypiperidin-1-yl)ethanone
CID 66427238
1-(3,3-dimethylpyrrolidin-1-yl)-2-morpholin-2-ylethanone;hydrochloride
CID 119781999
1-[3-(diethylamino)pyrrolidin-1-yl]-2-morpholin-2-ylethanone
CID 66428750
1-(4-methylsulfonylpiperazin-1-yl)-2-morpholin-2-ylethanone;hydrochloride
CID 119696186
1-(2-methyl-1,4-oxazepan-4-yl)-2-piperidin-2-ylethanone
CID 62972970

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,4-oxazepan-4-yl)-2-morpholin-2-ylethanone;hydrochloride?
The IUPAC name of 1-(2-methyl-1,4-oxazepan-4-yl)-2-morpholin-2-ylethanone;hydrochloride (CID 119771962) is 1-(2-methyl-1,4-oxazepan-4-yl)-2-morpholin-2-ylethanone;hydrochloride.
What is the SMILES notation for 1-(2-methyl-1,4-oxazepan-4-yl)-2-morpholin-2-ylethanone;hydrochloride?
The canonical SMILES for 1-(2-methyl-1,4-oxazepan-4-yl)-2-morpholin-2-ylethanone;hydrochloride is CC1CN(C(=O)CC2CNCCO2)CCCO1.Cl.
What is the InChIKey of 1-(2-methyl-1,4-oxazepan-4-yl)-2-morpholin-2-ylethanone;hydrochloride?
The InChIKey is GWRWLFLXRJDIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3.ClH/c1-10-9-14(4-2-5-16-10)12(15)7-11-8-13-3-6-17-11;/h10-11,13H,2-9H2,1H3;1H.
What are the key properties of 1-(2-methyl-1,4-oxazepan-4-yl)-2-morpholin-2-ylethanone;hydrochloride?
1-(2-methyl-1,4-oxazepan-4-yl)-2-morpholin-2-ylethanone;hydrochloride has a molecular weight of 278.78 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,4-oxazepan-4-yl)-2-morpholin-2-ylethanone;hydrochloride is sourced from PubChem (CID 119771962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).