ethyl 2-(4-acetylpiperazin-1-yl)acetate

C10H18N2O3 — CID 28841691

IUPACethyl 2-(4-acetylpiperazin-1-yl)acetate
SMILESCCOC(=O)CN1CCN(C(C)=O)CC1
InChIInChI=1S/C10H18N2O3/c1-3-15-10(14)8-11-4-6-12(7-5-11)9(2)13/h3-8H2,1-2H3
InChIKeyYASNZEDPDVKGEH-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.29
Rot. Bonds3

About ethyl 2-(4-acetylpiperazin-1-yl)acetate

ethyl 2-(4-acetylpiperazin-1-yl)acetate (PubChem CID 28841691) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl 2-(4-acetylpiperazin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-acetylpiperazin-1-yl)acetate
PubChem CID28841691
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nameethyl 2-(4-acetylpiperazin-1-yl)acetate
SMILESCCOC(=O)CN1CCN(C(C)=O)CC1
InChIInChI=1S/C10H18N2O3/c1-3-15-10(14)8-11-4-6-12(7-5-11)9(2)13/h3-8H2,1-2H3
InChIKeyYASNZEDPDVKGEH-UHFFFAOYSA-N
XLogP-0.29
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Acetyl-1-(2-ethoxy-2-oxoethyl)-1-methylpiperazin-1-ium
CID 16193173
1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)ethyl ester
CID 199462
1-Piperazineacetic acid, 4-methyl-, ethyl ester
CID 206939
1,2-Dimorpholinoethanone
CID 242924
Ethyl 2-{[2-(dimethylamino)ethyl](methyl)amino}acetate
CID 62013715
Ethyl 2-(4-ethylpiperazin-1-yl)-2-oxoacetate
CID 2166906
Ethyl 2-(4-formylpiperazin-1-yl)acetate
CID 676654
(4-Methoxycarbonylmethyl-piperazin-1-yl)-acetic acid, methyl ester
CID 6424666
1,4-Piperazinediacetic acid, diethyl ester
CID 142460
2-Diethylaminoethyl 4-ethylpiperazine-1-carboxylate
CID 515542
2-Dimethylaminoethyl 4-methylpiperazine-1-carboxylate
CID 515558
Ethyl 2-(4-methylpiperazin-1-yl)-2-oxoacetate
CID 3255797

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-acetylpiperazin-1-yl)acetate?
The IUPAC name of ethyl 2-(4-acetylpiperazin-1-yl)acetate (CID 28841691) is ethyl 2-(4-acetylpiperazin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-acetylpiperazin-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-acetylpiperazin-1-yl)acetate is CCOC(=O)CN1CCN(C(C)=O)CC1.
What is the InChIKey of ethyl 2-(4-acetylpiperazin-1-yl)acetate?
The InChIKey is YASNZEDPDVKGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-15-10(14)8-11-4-6-12(7-5-11)9(2)13/h3-8H2,1-2H3.
What are the key properties of ethyl 2-(4-acetylpiperazin-1-yl)acetate?
ethyl 2-(4-acetylpiperazin-1-yl)acetate has a molecular weight of 214.26 g/mol, XLogP of -0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-acetylpiperazin-1-yl)acetate is sourced from PubChem (CID 28841691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).