6-azaspiro[3.4]octan-6-yl-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride

C13H23ClN2O2 — CID 120933189

IUPAC6-azaspiro[3.4]octan-6-yl-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCC2(CCC2)C1.Cl
InChIInChI=1S/C13H22N2O2.ClH/c1-10-11(14-6-8-17-10)12(16)15-7-5-13(9-15)3-2-4-13;/h10-11,14H,2-9H2,1H3;1H/t10-,11+;/m1./s1
InChIKeyNHICYSAVPQECJN-DHXVBOOMSA-N
MW274.79 g/mol
LogP1.19
Rot. Bonds1

About 6-azaspiro[3.4]octan-6-yl-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride

6-azaspiro[3.4]octan-6-yl-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride (PubChem CID 120933189) has the molecular formula C13H23ClN2O2 and a molecular weight of 274.79 g/mol. Its IUPAC name is 6-azaspiro[3.4]octan-6-yl-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride.

Molecular Properties

Compound Name6-azaspiro[3.4]octan-6-yl-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
PubChem CID120933189
Molecular FormulaC13H23ClN2O2
Molecular Weight274.79 g/mol
Exact Mass274.14
IUPAC Name6-azaspiro[3.4]octan-6-yl-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCC2(CCC2)C1.Cl
InChIInChI=1S/C13H22N2O2.ClH/c1-10-11(14-6-8-17-10)12(16)15-7-5-13(9-15)3-2-4-13;/h10-11,14H,2-9H2,1H3;1H/t10-,11+;/m1./s1
InChIKeyNHICYSAVPQECJN-DHXVBOOMSA-N
XLogP1.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-azaspiro[3.4]octan-6-yl-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride with MolForge

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Related Compounds

(3,3-dimethylpyrrolidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120932229
[(2R,3S)-2-methylmorpholin-3-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone
CID 120935607
1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone
CID 120916623
[(2R,3S)-2-methylmorpholin-3-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 120930831
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
CID 120919129
[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 120938754
[2-(hydroxymethyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120932154
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 120932585
(4-tert-butylpiperidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120929521
2-azaspiro[4.5]decan-2-yl(morpholin-3-yl)methanone;hydrochloride
CID 119805300
2-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]acetamide
CID 120924842
[(2R,3S)-2-methylmorpholin-3-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone;dihydrochloride
CID 120942235

Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[3.4]octan-6-yl-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride?
The IUPAC name of 6-azaspiro[3.4]octan-6-yl-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride (CID 120933189) is 6-azaspiro[3.4]octan-6-yl-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride.
What is the SMILES notation for 6-azaspiro[3.4]octan-6-yl-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride?
The canonical SMILES for 6-azaspiro[3.4]octan-6-yl-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)N1CCC2(CCC2)C1.Cl.
What is the InChIKey of 6-azaspiro[3.4]octan-6-yl-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride?
The InChIKey is NHICYSAVPQECJN-DHXVBOOMSA-N. The full InChI is InChI=1S/C13H22N2O2.ClH/c1-10-11(14-6-8-17-10)12(16)15-7-5-13(9-15)3-2-4-13;/h10-11,14H,2-9H2,1H3;1H/t10-,11+;/m1./s1.
What are the key properties of 6-azaspiro[3.4]octan-6-yl-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride?
6-azaspiro[3.4]octan-6-yl-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride has a molecular weight of 274.79 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[3.4]octan-6-yl-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride is sourced from PubChem (CID 120933189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).