2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]-1-piperazin-1-ylethanone

C15H28N4O3 — CID 119915244

IUPAC2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]-1-piperazin-1-ylethanone
SMILESCC1CN(C(=O)CN(C)CC(=O)N2CCNCC2)CC(C)O1
InChIInChI=1S/C15H28N4O3/c1-12-8-19(9-13(2)22-12)15(21)11-17(3)10-14(20)18-6-4-16-5-7-18/h12-13,16H,4-11H2,1-3H3
InChIKeySHMPMZOFEOMEBP-UHFFFAOYSA-N
MW312.41 g/mol
LogP-1.01
Rot. Bonds4

About 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]-1-piperazin-1-ylethanone

2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]-1-piperazin-1-ylethanone (PubChem CID 119915244) has the molecular formula C15H28N4O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]-1-piperazin-1-ylethanone
PubChem CID119915244
Molecular FormulaC15H28N4O3
Molecular Weight312.41 g/mol
Exact Mass312.22
IUPAC Name2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]-1-piperazin-1-ylethanone
SMILESCC1CN(C(=O)CN(C)CC(=O)N2CCNCC2)CC(C)O1
InChIInChI=1S/C15H28N4O3/c1-12-8-19(9-13(2)22-12)15(21)11-17(3)10-14(20)18-6-4-16-5-7-18/h12-13,16H,4-11H2,1-3H3
InChIKeySHMPMZOFEOMEBP-UHFFFAOYSA-N
XLogP-1.01
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]-1-piperazin-1-ylethanone with MolForge

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Related Compounds

1-(2,6-dimethylmorpholin-4-yl)-2-[methyl(2-piperazin-1-ylethyl)amino]ethanone
CID 63265431
2-[azetidin-3-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 66187363
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
N-ethyl-N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 54903788
2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone
CID 61325591
N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-propan-2-ylacetamide
CID 54904152
1-(2,6-dimethylmorpholin-4-yl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
CID 115758447
N-cyclopropyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119914949
2-[3-fluoropropyl(methyl)amino]-1-piperazin-1-ylethanone
CID 81113401
1-(2,6-dimethylmorpholin-4-yl)-2-piperidin-4-ylethanone
CID 24711054
3-amino-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 16784840
N-tert-butyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 54904322

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]-1-piperazin-1-ylethanone (CID 119915244) is 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]-1-piperazin-1-ylethanone is CC1CN(C(=O)CN(C)CC(=O)N2CCNCC2)CC(C)O1.
What is the InChIKey of 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]-1-piperazin-1-ylethanone?
The InChIKey is SHMPMZOFEOMEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O3/c1-12-8-19(9-13(2)22-12)15(21)11-17(3)10-14(20)18-6-4-16-5-7-18/h12-13,16H,4-11H2,1-3H3.
What are the key properties of 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]-1-piperazin-1-ylethanone?
2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]-1-piperazin-1-ylethanone has a molecular weight of 312.41 g/mol, XLogP of -1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 119915244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).