1,5-bis(2,6-dimethylmorpholin-4-yl)pentane-1,5-dione

C17H30N2O4 — CID 2804870

IUPAC1,5-bis(2,6-dimethylmorpholin-4-yl)pentane-1,5-dione
SMILESCC1CN(C(=O)CCCC(=O)N2CC(C)OC(C)C2)CC(C)O1
InChIInChI=1S/C17H30N2O4/c1-12-8-18(9-13(2)22-12)16(20)6-5-7-17(21)19-10-14(3)23-15(4)11-19/h12-15H,5-11H2,1-4H3
InChIKeyYRXPLPXNUMTZMG-UHFFFAOYSA-N
MW326.44 g/mol
LogP1.43
Rot. Bonds4

About 1,5-bis(2,6-dimethylmorpholin-4-yl)pentane-1,5-dione

1,5-bis(2,6-dimethylmorpholin-4-yl)pentane-1,5-dione (PubChem CID 2804870) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1,5-bis(2,6-dimethylmorpholin-4-yl)pentane-1,5-dione.

Molecular Properties

Compound Name1,5-bis(2,6-dimethylmorpholin-4-yl)pentane-1,5-dione
PubChem CID2804870
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Name1,5-bis(2,6-dimethylmorpholin-4-yl)pentane-1,5-dione
SMILESCC1CN(C(=O)CCCC(=O)N2CC(C)OC(C)C2)CC(C)O1
InChIInChI=1S/C17H30N2O4/c1-12-8-18(9-13(2)22-12)16(20)6-5-7-17(21)19-10-14(3)23-15(4)11-19/h12-15H,5-11H2,1-4H3
InChIKeyYRXPLPXNUMTZMG-UHFFFAOYSA-N
XLogP1.43
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,6-Di(morpholin-4-yl)hexane-1,6-dione
CID 223658
1-(2,6-Dimethylmorpholin-4-yl)pentan-1-one
CID 304074
1-(4-{[1-(2-Methoxyacetyl)-4-piperidyl]oxy}piperidino)-1-propanone
CID 91916305
1,5-Bis(3,3-dimethylmorpholin-4-yl)pentane-1,5-dione
CID 122159129
1-[4-(4-Ethoxypiperidin-1-yl)-4-oxobutyl]piperidin-2-one
CID 131909971
2,2-Dimethyl-1,5-bis(2,2,6-trimethylmorpholin-4-yl)pentane-1,5-dione
CID 136512690
1,5-bis[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethylpentane-1,5-dione
CID 136580800
1-[3-[(3S)-3-methoxypiperidin-1-yl]-3-oxopropyl]piperidin-2-one
CID 164637243
2,2,3,3,4,4-Hexafluoro-1,5-dimorpholin-4-ylpentane-1,5-dione
CID 3427933
1,5-Dimorpholin-4-ylpentane-1,5-dione
CID 294208
1-[4-(2,6-Dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-methylpropan-1-one
CID 42943799
1-[2-(Morpholin-4-yl)ethyl]piperidine-2,6-dione
CID 13128472

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(2,6-dimethylmorpholin-4-yl)pentane-1,5-dione?
The IUPAC name of 1,5-bis(2,6-dimethylmorpholin-4-yl)pentane-1,5-dione (CID 2804870) is 1,5-bis(2,6-dimethylmorpholin-4-yl)pentane-1,5-dione.
What is the SMILES notation for 1,5-bis(2,6-dimethylmorpholin-4-yl)pentane-1,5-dione?
The canonical SMILES for 1,5-bis(2,6-dimethylmorpholin-4-yl)pentane-1,5-dione is CC1CN(C(=O)CCCC(=O)N2CC(C)OC(C)C2)CC(C)O1.
What is the InChIKey of 1,5-bis(2,6-dimethylmorpholin-4-yl)pentane-1,5-dione?
The InChIKey is YRXPLPXNUMTZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-12-8-18(9-13(2)22-12)16(20)6-5-7-17(21)19-10-14(3)23-15(4)11-19/h12-15H,5-11H2,1-4H3.
What are the key properties of 1,5-bis(2,6-dimethylmorpholin-4-yl)pentane-1,5-dione?
1,5-bis(2,6-dimethylmorpholin-4-yl)pentane-1,5-dione has a molecular weight of 326.44 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(2,6-dimethylmorpholin-4-yl)pentane-1,5-dione is sourced from PubChem (CID 2804870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).