2-(3,5-dimethylpiperazin-1-yl)-1-morpholin-4-ylpropan-1-one

C13H25N3O2 — CID 63874452

IUPAC2-(3,5-dimethylpiperazin-1-yl)-1-morpholin-4-ylpropan-1-one
SMILESCC1CN(C(C)C(=O)N2CCOCC2)CC(C)N1
InChIInChI=1S/C13H25N3O2/c1-10-8-16(9-11(2)14-10)12(3)13(17)15-4-6-18-7-5-15/h10-12,14H,4-9H2,1-3H3
InChIKeyWNIUMYGYKUSGBQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.08
Rot. Bonds2

About 2-(3,5-dimethylpiperazin-1-yl)-1-morpholin-4-ylpropan-1-one

2-(3,5-dimethylpiperazin-1-yl)-1-morpholin-4-ylpropan-1-one (PubChem CID 63874452) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperazin-1-yl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(3,5-dimethylpiperazin-1-yl)-1-morpholin-4-ylpropan-1-one
PubChem CID63874452
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-(3,5-dimethylpiperazin-1-yl)-1-morpholin-4-ylpropan-1-one
SMILESCC1CN(C(C)C(=O)N2CCOCC2)CC(C)N1
InChIInChI=1S/C13H25N3O2/c1-10-8-16(9-11(2)14-10)12(3)13(17)15-4-6-18-7-5-15/h10-12,14H,4-9H2,1-3H3
InChIKeyWNIUMYGYKUSGBQ-UHFFFAOYSA-N
XLogP-0.08
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-morpholin-4-yl-2-(3-piperazin-1-ylazetidin-1-yl)propan-1-one
CID 66197711
2-(4-hydroxypiperidin-1-yl)-1-morpholin-4-ylpropan-1-one
CID 60638552
1-morpholin-4-yl-2-piperazin-1-ylpropan-1-one;dihydrochloride
CID 50988307
2-(3-acetylpiperidin-1-yl)-1-morpholin-4-ylpropan-1-one
CID 63847036
1-morpholin-4-yl-2-pyrrol-1-ylpropan-1-one
CID 112690185
1,2-bis(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 134062663
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 78786208
2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 63853962
(2S)-2-chloro-1-morpholin-4-ylpropan-1-one
CID 2434799
1-morpholin-4-yl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119877474
(2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95318440
2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 46614351

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-1-morpholin-4-ylpropan-1-one (CID 63874452) is 2-(3,5-dimethylpiperazin-1-yl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(3,5-dimethylpiperazin-1-yl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(3,5-dimethylpiperazin-1-yl)-1-morpholin-4-ylpropan-1-one is CC1CN(C(C)C(=O)N2CCOCC2)CC(C)N1.
What is the InChIKey of 2-(3,5-dimethylpiperazin-1-yl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is WNIUMYGYKUSGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10-8-16(9-11(2)14-10)12(3)13(17)15-4-6-18-7-5-15/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpiperazin-1-yl)-1-morpholin-4-ylpropan-1-one?
2-(3,5-dimethylpiperazin-1-yl)-1-morpholin-4-ylpropan-1-one has a molecular weight of 255.36 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperazin-1-yl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 63874452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).