[2-[(2R)-2-methylpiperazin-1-yl]-2-oxoethyl] acetate

C9H16N2O3 — CID 146597799

IUPAC[2-[(2R)-2-methylpiperazin-1-yl]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N1CCNC[C@H]1C
InChIInChI=1S/C9H16N2O3/c1-7-5-10-3-4-11(7)9(13)6-14-8(2)12/h7,10H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyYDZQHFUXUDMZFC-SSDOTTSWSA-N
MW200.24 g/mol
LogP-0.63
Rot. Bonds2

About [2-[(2R)-2-methylpiperazin-1-yl]-2-oxoethyl] acetate

[2-[(2R)-2-methylpiperazin-1-yl]-2-oxoethyl] acetate (PubChem CID 146597799) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is [2-[(2R)-2-methylpiperazin-1-yl]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[(2R)-2-methylpiperazin-1-yl]-2-oxoethyl] acetate
PubChem CID146597799
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name[2-[(2R)-2-methylpiperazin-1-yl]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N1CCNC[C@H]1C
InChIInChI=1S/C9H16N2O3/c1-7-5-10-3-4-11(7)9(13)6-14-8(2)12/h7,10H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyYDZQHFUXUDMZFC-SSDOTTSWSA-N
XLogP-0.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyethoxy)-1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 103866742
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethanone
CID 79001882
1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440
1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 55300442
[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl] acetate
CID 71416331
5,5-dimethyl-1-(2-methylpiperazin-1-yl)hexan-1-one
CID 115273038
3-amino-1-(2-methylpiperazin-1-yl)butan-1-one
CID 128919979
3-(dimethylamino)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 82755732
(2S)-2-methylpiperazine-1-carboxamide
CID 66855874
ethyl 2-methylpiperazine-1-carboxylate;hydrochloride
CID 118918526
1-(2-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 119470224

Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-2-methylpiperazin-1-yl]-2-oxoethyl] acetate?
The IUPAC name of [2-[(2R)-2-methylpiperazin-1-yl]-2-oxoethyl] acetate (CID 146597799) is [2-[(2R)-2-methylpiperazin-1-yl]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[(2R)-2-methylpiperazin-1-yl]-2-oxoethyl] acetate?
The canonical SMILES for [2-[(2R)-2-methylpiperazin-1-yl]-2-oxoethyl] acetate is CC(=O)OCC(=O)N1CCNC[C@H]1C.
What is the InChIKey of [2-[(2R)-2-methylpiperazin-1-yl]-2-oxoethyl] acetate?
The InChIKey is YDZQHFUXUDMZFC-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-7-5-10-3-4-11(7)9(13)6-14-8(2)12/h7,10H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of [2-[(2R)-2-methylpiperazin-1-yl]-2-oxoethyl] acetate?
[2-[(2R)-2-methylpiperazin-1-yl]-2-oxoethyl] acetate has a molecular weight of 200.24 g/mol, XLogP of -0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R)-2-methylpiperazin-1-yl]-2-oxoethyl] acetate is sourced from PubChem (CID 146597799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).