[(3aS,4R,7aS)-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone;hydrochloride

C12H21ClN2O3 — CID 155855911

IUPAC[(3aS,4R,7aS)-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone;hydrochloride
SMILESCl.O=C([C@H]1CNC[C@H]2OCC[C@@H]12)N1CCOCC1
InChIInChI=1S/C12H20N2O3.ClH/c15-12(14-2-5-16-6-3-14)10-7-13-8-11-9(10)1-4-17-11;/h9-11,13H,1-8H2;1H/t9-,10-,11+;/m0./s1
InChIKeyMWJZBRYVTIJNHF-PBDVDRNWSA-N
MW276.76 g/mol
LogP-0.11
Rot. Bonds1

About [(3aS,4R,7aS)-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone;hydrochloride

[(3aS,4R,7aS)-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone;hydrochloride (PubChem CID 155855911) has the molecular formula C12H21ClN2O3 and a molecular weight of 276.76 g/mol. Its IUPAC name is [(3aS,4R,7aS)-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[(3aS,4R,7aS)-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone;hydrochloride
PubChem CID155855911
Molecular FormulaC12H21ClN2O3
Molecular Weight276.76 g/mol
Exact Mass276.12
IUPAC Name[(3aS,4R,7aS)-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone;hydrochloride
SMILESCl.O=C([C@H]1CNC[C@H]2OCC[C@@H]12)N1CCOCC1
InChIInChI=1S/C12H20N2O3.ClH/c15-12(14-2-5-16-6-3-14)10-7-13-8-11-9(10)1-4-17-11;/h9-11,13H,1-8H2;1H/t9-,10-,11+;/m0./s1
InChIKeyMWJZBRYVTIJNHF-PBDVDRNWSA-N
XLogP-0.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3aS,4R,7aS)-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone;hydrochloride with MolForge

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Related Compounds

(4-methylpyrrolidin-3-yl)-morpholin-4-ylmethanone
CID 63720609
[(3aS,4S,7aS)-6-(1-fluorocyclopropanecarbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone
CID 131684769
(2-methyloxolan-3-yl)-morpholin-4-ylmethanone
CID 79759463
morpholin-4-yl(oxetan-2-yl)methanone
CID 130874953
[4-(4-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 42825231
(4-methylpiperidin-1-yl)-[2-(morpholine-4-carbonyl)cyclopropyl]methanone
CID 109132556
[(3aS,4S,7aS)-4-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-hydroxycyclobutyl)methanone
CID 131684765
[4-(3-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 42680068
[(3aS,4S,7aS)-4-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-methylcyclobutyl)methanone
CID 131684563
[(3aS,4R,7aS)-6-[(5-ethylfuran-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155845160
1,4-oxazepan-4-yl-[(3S)-piperidin-3-yl]methanone
CID 81141474
morpholin-4-yl-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]methanone
CID 125474305

Frequently Asked Questions

What is the IUPAC name of [(3aS,4R,7aS)-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone;hydrochloride?
The IUPAC name of [(3aS,4R,7aS)-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone;hydrochloride (CID 155855911) is [(3aS,4R,7aS)-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone;hydrochloride.
What is the SMILES notation for [(3aS,4R,7aS)-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone;hydrochloride?
The canonical SMILES for [(3aS,4R,7aS)-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone;hydrochloride is Cl.O=C([C@H]1CNC[C@H]2OCC[C@@H]12)N1CCOCC1.
What is the InChIKey of [(3aS,4R,7aS)-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone;hydrochloride?
The InChIKey is MWJZBRYVTIJNHF-PBDVDRNWSA-N. The full InChI is InChI=1S/C12H20N2O3.ClH/c15-12(14-2-5-16-6-3-14)10-7-13-8-11-9(10)1-4-17-11;/h9-11,13H,1-8H2;1H/t9-,10-,11+;/m0./s1.
What are the key properties of [(3aS,4R,7aS)-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone;hydrochloride?
[(3aS,4R,7aS)-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone;hydrochloride has a molecular weight of 276.76 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,4R,7aS)-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone;hydrochloride is sourced from PubChem (CID 155855911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).