ethyl 4-[2-(N-acetyl-3-methoxyanilino)acetyl]piperazine-1-carboxylate

C18H25N3O5 — CID 113173356

IUPACethyl 4-[2-(N-acetyl-3-methoxyanilino)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CN(C(C)=O)c2cccc(OC)c2)CC1
InChIInChI=1S/C18H25N3O5/c1-4-26-18(24)20-10-8-19(9-11-20)17(23)13-21(14(2)22)15-6-5-7-16(12-15)25-3/h5-7,12H,4,8-11,13H2,1-3H3
InChIKeyUSKARUPWDYXWGQ-UHFFFAOYSA-N
MW363.41 g/mol
LogP1.35
Rot. Bonds5

About ethyl 4-[2-(N-acetyl-3-methoxyanilino)acetyl]piperazine-1-carboxylate

ethyl 4-[2-(N-acetyl-3-methoxyanilino)acetyl]piperazine-1-carboxylate (PubChem CID 113173356) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is ethyl 4-[2-(N-acetyl-3-methoxyanilino)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(N-acetyl-3-methoxyanilino)acetyl]piperazine-1-carboxylate
PubChem CID113173356
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Nameethyl 4-[2-(N-acetyl-3-methoxyanilino)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CN(C(C)=O)c2cccc(OC)c2)CC1
InChIInChI=1S/C18H25N3O5/c1-4-26-18(24)20-10-8-19(9-11-20)17(23)13-21(14(2)22)15-6-5-7-16(12-15)25-3/h5-7,12H,4,8-11,13H2,1-3H3
InChIKeyUSKARUPWDYXWGQ-UHFFFAOYSA-N
XLogP1.35
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-(N-acetyl-3-methoxycarbonylanilino)acetyl]piperazine-1-carboxylate
CID 113176246
N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-(3-methoxyphenyl)acetamide
CID 113173316
ethyl 4-[2-(N-acetyl-3,5-dimethylanilino)acetyl]piperazine-1-carboxylate
CID 113168491
ethyl 4-[2-(N-acetyl-4-methylanilino)acetyl]piperazine-1-carboxylate
CID 113167712
ethyl 4-[2-(N-acetyl-3-chloro-4-methylanilino)acetyl]piperazine-1-carboxylate
CID 113172220
N-(3-methoxyphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113173376
ethyl 4-[3-(N-acetyl-3-methylanilino)propanoyl]piperazine-1-carboxylate
CID 113123786
ethyl 4-[2-(N-acetyl-2-methoxy-5-methylanilino)acetyl]piperazine-1-carboxylate
CID 113174079
ethyl 4-[2-(3-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 109003882
N-(3-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113128930
N-(3-cyanophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113180909
N-(3,4-dimethoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113174831

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(N-acetyl-3-methoxyanilino)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(N-acetyl-3-methoxyanilino)acetyl]piperazine-1-carboxylate (CID 113173356) is ethyl 4-[2-(N-acetyl-3-methoxyanilino)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(N-acetyl-3-methoxyanilino)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(N-acetyl-3-methoxyanilino)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CN(C(C)=O)c2cccc(OC)c2)CC1.
What is the InChIKey of ethyl 4-[2-(N-acetyl-3-methoxyanilino)acetyl]piperazine-1-carboxylate?
The InChIKey is USKARUPWDYXWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-4-26-18(24)20-10-8-19(9-11-20)17(23)13-21(14(2)22)15-6-5-7-16(12-15)25-3/h5-7,12H,4,8-11,13H2,1-3H3.
What are the key properties of ethyl 4-[2-(N-acetyl-3-methoxyanilino)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(N-acetyl-3-methoxyanilino)acetyl]piperazine-1-carboxylate has a molecular weight of 363.41 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(N-acetyl-3-methoxyanilino)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 113173356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).