[6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone

C20H30N2O3 — CID 45211358

IUPAC[6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)C2CC23CCN(C(=O)C2=CCCC2)CC3)C[C@H](C)O1
InChIInChI=1S/C20H30N2O3/c1-14-12-22(13-15(2)25-14)19(24)17-11-20(17)7-9-21(10-8-20)18(23)16-5-3-4-6-16/h5,14-15,17H,3-4,6-13H2,1-2H3/t14-,15+,17?
InChIKeyKJWGWOBWXRUZRU-FKEKPDDDSA-N
MW346.47 g/mol
LogP2.36
Rot. Bonds2

About [6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone

[6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 45211358) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is [6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID45211358
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name[6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)C2CC23CCN(C(=O)C2=CCCC2)CC3)C[C@H](C)O1
InChIInChI=1S/C20H30N2O3/c1-14-12-22(13-15(2)25-14)19(24)17-11-20(17)7-9-21(10-8-20)18(23)16-5-3-4-6-16/h5,14-15,17H,3-4,6-13H2,1-2H3/t14-,15+,17?
InChIKeyKJWGWOBWXRUZRU-FKEKPDDDSA-N
XLogP2.36
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-{[6-(1-cyclopenten-1-ylcarbonyl)-6-azaspiro[2.5]oct-1-yl]carbonyl}-1-piperazinecarboxylate
CID 45224328
2-(cyclohexen-1-yl)-1-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-6-azaspiro[2.5]octan-6-yl]ethanone
CID 45227699
1-{[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]carbonyl}-6-[2-(2,6,6-trimethyl-1-cyclohexen-1-yl)ethyl]-6-azaspiro[2.5]octane
CID 45929981
9-(Cyclopent-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98896146
ethyl 4-[(2R)-6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octane-2-carbonyl]piperazine-1-carboxylate
CID 26330189
ethyl 4-[(2S)-6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octane-2-carbonyl]piperazine-1-carboxylate
CID 26330192
[(2R)-6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 26347463
[(2S)-6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 26347465
3-[1-(Cyclohexene-1-carbonyl)piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
CID 45196350
[2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 47014950
[2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 49095794
[1-[2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 56810886

Frequently Asked Questions

What is the IUPAC name of [6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (CID 45211358) is [6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)C2CC23CCN(C(=O)C2=CCCC2)CC3)C[C@H](C)O1.
What is the InChIKey of [6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is KJWGWOBWXRUZRU-FKEKPDDDSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-14-12-22(13-15(2)25-14)19(24)17-11-20(17)7-9-21(10-8-20)18(23)16-5-3-4-6-16/h5,14-15,17H,3-4,6-13H2,1-2H3/t14-,15+,17?.
What are the key properties of [6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
[6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 346.47 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 45211358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).