3,4-bis(2,6-dimethylmorpholine-4-carbonyl)cyclopentan-1-one

C19H30N2O5 — CID 71857149

IUPAC3,4-bis(2,6-dimethylmorpholine-4-carbonyl)cyclopentan-1-one
SMILESCC1CN(C(=O)C2CC(=O)CC2C(=O)N2CC(C)OC(C)C2)CC(C)O1
InChIInChI=1S/C19H30N2O5/c1-11-7-20(8-12(2)25-11)18(23)16-5-15(22)6-17(16)19(24)21-9-13(3)26-14(4)10-21/h11-14,16-17H,5-10H2,1-4H3
InChIKeyUDVAUNWCGZOSKK-UHFFFAOYSA-N
MW366.46 g/mol
LogP0.85
Rot. Bonds2

About 3,4-bis(2,6-dimethylmorpholine-4-carbonyl)cyclopentan-1-one

3,4-bis(2,6-dimethylmorpholine-4-carbonyl)cyclopentan-1-one (PubChem CID 71857149) has the molecular formula C19H30N2O5 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3,4-bis(2,6-dimethylmorpholine-4-carbonyl)cyclopentan-1-one.

Molecular Properties

Compound Name3,4-bis(2,6-dimethylmorpholine-4-carbonyl)cyclopentan-1-one
PubChem CID71857149
Molecular FormulaC19H30N2O5
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC Name3,4-bis(2,6-dimethylmorpholine-4-carbonyl)cyclopentan-1-one
SMILESCC1CN(C(=O)C2CC(=O)CC2C(=O)N2CC(C)OC(C)C2)CC(C)O1
InChIInChI=1S/C19H30N2O5/c1-11-7-20(8-12(2)25-11)18(23)16-5-15(22)6-17(16)19(24)21-9-13(3)26-14(4)10-21/h11-14,16-17H,5-10H2,1-4H3
InChIKeyUDVAUNWCGZOSKK-UHFFFAOYSA-N
XLogP0.85
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1S,2S)-2-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 124574972
(3-amino-2-methylcyclohexyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 62777748
(2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid
CID 137442866
2,6-dimethylmorpholine-4-carboxylic acid
CID 22047773
1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 3361054
cyclohexyl-(2,6-dimethylmorpholin-4-yl)methanone
CID 2915019
2,6-dimethylmorpholine-4-carbonyl chloride
CID 19080228
(3-aminocyclopentyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104958585
4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 98555777
1-(2,6-dimethylmorpholin-4-yl)propane-1,2-dione
CID 131176238
1-butyl-4-(2,6-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 17082561
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(2,6-dimethylmorpholine-4-carbonyl)cyclopentan-1-one?
The IUPAC name of 3,4-bis(2,6-dimethylmorpholine-4-carbonyl)cyclopentan-1-one (CID 71857149) is 3,4-bis(2,6-dimethylmorpholine-4-carbonyl)cyclopentan-1-one.
What is the SMILES notation for 3,4-bis(2,6-dimethylmorpholine-4-carbonyl)cyclopentan-1-one?
The canonical SMILES for 3,4-bis(2,6-dimethylmorpholine-4-carbonyl)cyclopentan-1-one is CC1CN(C(=O)C2CC(=O)CC2C(=O)N2CC(C)OC(C)C2)CC(C)O1.
What is the InChIKey of 3,4-bis(2,6-dimethylmorpholine-4-carbonyl)cyclopentan-1-one?
The InChIKey is UDVAUNWCGZOSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O5/c1-11-7-20(8-12(2)25-11)18(23)16-5-15(22)6-17(16)19(24)21-9-13(3)26-14(4)10-21/h11-14,16-17H,5-10H2,1-4H3.
What are the key properties of 3,4-bis(2,6-dimethylmorpholine-4-carbonyl)cyclopentan-1-one?
3,4-bis(2,6-dimethylmorpholine-4-carbonyl)cyclopentan-1-one has a molecular weight of 366.46 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(2,6-dimethylmorpholine-4-carbonyl)cyclopentan-1-one is sourced from PubChem (CID 71857149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).