[(1R,5S,6R)-3-methyl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone

C12H20N2O3 — CID 124814234

IUPAC[(1R,5S,6R)-3-methyl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone
SMILESCN1C[C@H]2C[C@@H](C(=O)N3CCOCC3)[C@@H](C1)O2
InChIInChI=1S/C12H20N2O3/c1-13-7-9-6-10(11(8-13)17-9)12(15)14-2-4-16-5-3-14/h9-11H,2-8H2,1H3/t9-,10-,11-/m1/s1
InChIKeyUCIKSYGCLAVFQJ-GMTAPVOTSA-N
MW240.30 g/mol
LogP-0.44
Rot. Bonds1

About [(1R,5S,6R)-3-methyl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone

[(1R,5S,6R)-3-methyl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone (PubChem CID 124814234) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is [(1R,5S,6R)-3-methyl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(1R,5S,6R)-3-methyl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone
PubChem CID124814234
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name[(1R,5S,6R)-3-methyl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone
SMILESCN1C[C@H]2C[C@@H](C(=O)N3CCOCC3)[C@@H](C1)O2
InChIInChI=1S/C12H20N2O3/c1-13-7-9-6-10(11(8-13)17-9)12(15)14-2-4-16-5-3-14/h9-11H,2-8H2,1H3/t9-,10-,11-/m1/s1
InChIKeyUCIKSYGCLAVFQJ-GMTAPVOTSA-N
XLogP-0.44
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1R,5S,6R)-3-methyl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[(1S,5R,6R)-3-(2-methoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone
CID 133140185
[(1S,5R,6S)-3-(3-methylbutyl)-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-pyrrolidin-1-ylmethanone
CID 155565797
1-[6-(4-methylpiperazine-1-carbonyl)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]-3-methylsulfonylpropan-1-one
CID 131684083
(4-methylpiperazin-1-yl)-[(1S,5R,6S)-3-(2-methylpropylsulfonyl)-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]methanone
CID 155569609
[(1R,5S,6S)-3-[(3-methylphenyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155826747
[(1R,5S,6S)-3-ethylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-(4-methylpiperazin-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 155836739
(4-methylpiperidin-1-yl)-[2-(morpholine-4-carbonyl)cyclopropyl]methanone
CID 109132556
1-[(3S,4S)-3-methyl-4-(morpholine-4-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 126827528
[(1S,5R,6R)-3-butylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-pyrrolidin-1-ylmethanone
CID 133140205
(2-methyloxolan-3-yl)-morpholin-4-ylmethanone
CID 79759463
[(3R)-1-methylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 95907299
(4-ethylpiperazin-1-yl)-[2-(morpholine-4-carbonyl)cyclopropyl]methanone
CID 109133273

Frequently Asked Questions

What is the IUPAC name of [(1R,5S,6R)-3-methyl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(1R,5S,6R)-3-methyl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone (CID 124814234) is [(1R,5S,6R)-3-methyl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(1R,5S,6R)-3-methyl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(1R,5S,6R)-3-methyl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone is CN1C[C@H]2C[C@@H](C(=O)N3CCOCC3)[C@@H](C1)O2.
What is the InChIKey of [(1R,5S,6R)-3-methyl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone?
The InChIKey is UCIKSYGCLAVFQJ-GMTAPVOTSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-13-7-9-6-10(11(8-13)17-9)12(15)14-2-4-16-5-3-14/h9-11H,2-8H2,1H3/t9-,10-,11-/m1/s1.
What are the key properties of [(1R,5S,6R)-3-methyl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone?
[(1R,5S,6R)-3-methyl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone has a molecular weight of 240.30 g/mol, XLogP of -0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S,6R)-3-methyl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 124814234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).