ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate

C16H22N2O4 — CID 694651

IUPACethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cc2ccccc2OC)CC1
InChIInChI=1S/C16H22N2O4/c1-3-22-16(20)18-10-8-17(9-11-18)15(19)12-13-6-4-5-7-14(13)21-2/h4-7H,3,8-12H2,1-2H3
InChIKeyBNJMYIIVLSUHJC-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.54
Rot. Bonds4

About ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate

ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate (PubChem CID 694651) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate
PubChem CID694651
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Nameethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cc2ccccc2OC)CC1
InChIInChI=1S/C16H22N2O4/c1-3-22-16(20)18-10-8-17(9-11-18)15(19)12-13-6-4-5-7-14(13)21-2/h4-7H,3,8-12H2,1-2H3
InChIKeyBNJMYIIVLSUHJC-UHFFFAOYSA-N
XLogP1.54
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]piperazine-1-carboxylate
CID 45209996
ethyl 4-[2-[2-(2-methoxyphenyl)ethylamino]acetyl]piperazine-1-carboxylate
CID 109000609
1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110818906
2-ethyl-1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]butan-1-one
CID 110818064
ethyl 4-[2-[2-(2-methoxyphenyl)ethylcarbamoylamino]acetyl]piperazine-1-carboxylate
CID 110625494
ethyl 4-[2-(2-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 109003881
ethyl 4-[2-(2,4-dimethoxyphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110809095
2-(2-methoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone
CID 4739078
ethyl 4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxylate
CID 8932090
ethyl 4-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110809096
1-(4-bromopiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 80661576
2-(2-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 6466814

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate (CID 694651) is ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)Cc2ccccc2OC)CC1.
What is the InChIKey of ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate?
The InChIKey is BNJMYIIVLSUHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-3-22-16(20)18-10-8-17(9-11-18)15(19)12-13-6-4-5-7-14(13)21-2/h4-7H,3,8-12H2,1-2H3.
What are the key properties of ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate has a molecular weight of 306.36 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 694651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).