1-(4-acetylpiperazin-1-yl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone

C13H25N3O3 — CID 79004856

IUPAC1-(4-acetylpiperazin-1-yl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone
SMILESCC(=O)N1CCN(C(=O)CN(C)CC(C)(C)O)CC1
InChIInChI=1S/C13H25N3O3/c1-11(17)15-5-7-16(8-6-15)12(18)9-14(4)10-13(2,3)19/h19H,5-10H2,1-4H3
InChIKeyOPXBZGXYXVVDFZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.62
Rot. Bonds4

About 1-(4-acetylpiperazin-1-yl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone

1-(4-acetylpiperazin-1-yl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone (PubChem CID 79004856) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone
PubChem CID79004856
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone
SMILESCC(=O)N1CCN(C(=O)CN(C)CC(C)(C)O)CC1
InChIInChI=1S/C13H25N3O3/c1-11(17)15-5-7-16(8-6-15)12(18)9-14(4)10-13(2,3)19/h19H,5-10H2,1-4H3
InChIKeyOPXBZGXYXVVDFZ-UHFFFAOYSA-N
XLogP-0.62
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]piperidin-4-one
CID 79389678
2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone
CID 61325591
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone
CID 97051854
2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone
CID 79652067
1-[(2-hydroxy-2-methylpropyl)-methylamino]butan-2-one
CID 79390253
2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915085
1-(4-acetylpiperazin-1-yl)-3-(dimethylamino)propan-1-one
CID 110603330
1-(4-acetylpiperazin-1-yl)-2-[cyclobutyl(2,2,2-trifluoroethyl)amino]ethanone
CID 75434558
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-propylacetamide
CID 113157923
1-(4-acetylpiperazin-1-yl)-2-(tert-butylamino)ethanone
CID 78972991
1-[4-(dimethylamino)piperidin-1-yl]-2-[[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-methylamino]ethanone
CID 144771309

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone (CID 79004856) is 1-(4-acetylpiperazin-1-yl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone is CC(=O)N1CCN(C(=O)CN(C)CC(C)(C)O)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone?
The InChIKey is OPXBZGXYXVVDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-11(17)15-5-7-16(8-6-15)12(18)9-14(4)10-13(2,3)19/h19H,5-10H2,1-4H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone?
1-(4-acetylpiperazin-1-yl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone has a molecular weight of 271.36 g/mol, XLogP of -0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone is sourced from PubChem (CID 79004856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).