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

C17H24N2O4 — CID 78784884

IUPACethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cc2ccc(OCC)cc2)CC1
InChIInChI=1S/C17H24N2O4/c1-3-22-15-7-5-14(6-8-15)13-16(20)18-9-11-19(12-10-18)17(21)23-4-2/h5-8H,3-4,9-13H2,1-2H3
InChIKeyLZLHLMFZVLEIKN-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.93
Rot. Bonds5

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

ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate (PubChem CID 78784884) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate
PubChem CID78784884
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Nameethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cc2ccc(OCC)cc2)CC1
InChIInChI=1S/C17H24N2O4/c1-3-22-15-7-5-14(6-8-15)13-16(20)18-9-11-19(12-10-18)17(21)23-4-2/h5-8H,3-4,9-13H2,1-2H3
InChIKeyLZLHLMFZVLEIKN-UHFFFAOYSA-N
XLogP1.93
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110808925
1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone
CID 82365897
ethyl 4-[2-(4-ethylphenyl)acetyl]piperazine-1-carboxylate
CID 99623799
2-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55461138
1-[4-[2-(4-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 108547166
1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 108545578
2-(4-ethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone
CID 6465047
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-ethoxyphenyl)ethanone
CID 110743455
2-(4-ethoxyphenyl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95348538
1-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55471046
ethyl 4-[2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]acetyl]piperazine-1-carboxylate
CID 91945458
2-(4-ethoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17249493

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate (CID 78784884) is ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)Cc2ccc(OCC)cc2)CC1.
What is the InChIKey of ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate?
The InChIKey is LZLHLMFZVLEIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-3-22-15-7-5-14(6-8-15)13-16(20)18-9-11-19(12-10-18)17(21)23-4-2/h5-8H,3-4,9-13H2,1-2H3.
What are the key properties of ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 78784884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).