ethyl 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetate

C17H24N2O4 — CID 134032771

IUPACethyl 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(C(=O)Cc2cccc(OC)c2)CC1
InChIInChI=1S/C17H24N2O4/c1-3-23-17(21)13-18-7-9-19(10-8-18)16(20)12-14-5-4-6-15(11-14)22-2/h4-6,11H,3,7-10,12-13H2,1-2H3
InChIKeyQFJIJWYIFMKAFW-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.94
Rot. Bonds6

About ethyl 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetate

ethyl 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetate (PubChem CID 134032771) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is ethyl 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetate
PubChem CID134032771
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Nameethyl 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(C(=O)Cc2cccc(OC)c2)CC1
InChIInChI=1S/C17H24N2O4/c1-3-23-17(21)13-18-7-9-19(10-8-18)16(20)12-14-5-4-6-15(11-14)22-2/h4-6,11H,3,7-10,12-13H2,1-2H3
InChIKeyQFJIJWYIFMKAFW-UHFFFAOYSA-N
XLogP0.94
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetamide
CID 134043738
2-(3-methoxyphenyl)-1-(4-propyl-1,4-diazepan-1-yl)ethanone
CID 56822423
2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 51094075
2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile
CID 47439819
1-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 57442714
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817966
1-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 31717507
1-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 120626340
4-amino-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]butan-1-one;hydrochloride
CID 119306920
1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 55851491

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetate (CID 134032771) is ethyl 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetate is CCOC(=O)CN1CCN(C(=O)Cc2cccc(OC)c2)CC1.
What is the InChIKey of ethyl 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetate?
The InChIKey is QFJIJWYIFMKAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-3-23-17(21)13-18-7-9-19(10-8-18)16(20)12-14-5-4-6-15(11-14)22-2/h4-6,11H,3,7-10,12-13H2,1-2H3.
What are the key properties of ethyl 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetate?
ethyl 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetate has a molecular weight of 320.39 g/mol, XLogP of 0.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetate is sourced from PubChem (CID 134032771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).