[(2R,3S)-2-methylmorpholin-3-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride

C12H23ClN2O3 — CID 120930831

IUPAC[(2R,3S)-2-methylmorpholin-3-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)[C@H]2NCCO[C@@H]2C)CCCO1.Cl
InChIInChI=1S/C12H22N2O3.ClH/c1-9-8-14(5-3-6-16-9)12(15)11-10(2)17-7-4-13-11;/h9-11,13H,3-8H2,1-2H3;1H/t9?,10-,11+;/m1./s1
InChIKeyHDBSXZWGVRGRQL-LLRQXEEASA-N
MW278.78 g/mol
LogP0.42
Rot. Bonds1

About [(2R,3S)-2-methylmorpholin-3-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride

[(2R,3S)-2-methylmorpholin-3-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride (PubChem CID 120930831) has the molecular formula C12H23ClN2O3 and a molecular weight of 278.78 g/mol. Its IUPAC name is [(2R,3S)-2-methylmorpholin-3-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[(2R,3S)-2-methylmorpholin-3-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
PubChem CID120930831
Molecular FormulaC12H23ClN2O3
Molecular Weight278.78 g/mol
Exact Mass278.14
IUPAC Name[(2R,3S)-2-methylmorpholin-3-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)[C@H]2NCCO[C@@H]2C)CCCO1.Cl
InChIInChI=1S/C12H22N2O3.ClH/c1-9-8-14(5-3-6-16-9)12(15)11-10(2)17-7-4-13-11;/h9-11,13H,3-8H2,1-2H3;1H/t9?,10-,11+;/m1./s1
InChIKeyHDBSXZWGVRGRQL-LLRQXEEASA-N
XLogP0.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
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

Analyze [(2R,3S)-2-methylmorpholin-3-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 120932585
[2-(hydroxymethyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120932154
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
CID 120919129
1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone
CID 120916623
[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 120938754
6-azaspiro[3.4]octan-6-yl-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120933189
(4-tert-butylpiperidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120929521
(3,3-dimethylpyrrolidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120932229
[(2R,3S)-2-methylmorpholin-3-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120932218
3-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]propanamide
CID 120928873
[(2R,3S)-2-methylmorpholin-3-yl]-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone;dihydrochloride
CID 120938815
N-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]butanamide
CID 120929380

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-methylmorpholin-3-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride?
The IUPAC name of [(2R,3S)-2-methylmorpholin-3-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride (CID 120930831) is [(2R,3S)-2-methylmorpholin-3-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride.
What is the SMILES notation for [(2R,3S)-2-methylmorpholin-3-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride?
The canonical SMILES for [(2R,3S)-2-methylmorpholin-3-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride is CC1CN(C(=O)[C@H]2NCCO[C@@H]2C)CCCO1.Cl.
What is the InChIKey of [(2R,3S)-2-methylmorpholin-3-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride?
The InChIKey is HDBSXZWGVRGRQL-LLRQXEEASA-N. The full InChI is InChI=1S/C12H22N2O3.ClH/c1-9-8-14(5-3-6-16-9)12(15)11-10(2)17-7-4-13-11;/h9-11,13H,3-8H2,1-2H3;1H/t9?,10-,11+;/m1./s1.
What are the key properties of [(2R,3S)-2-methylmorpholin-3-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride?
[(2R,3S)-2-methylmorpholin-3-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride has a molecular weight of 278.78 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-methylmorpholin-3-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride is sourced from PubChem (CID 120930831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).