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

C16H23N3O4 — CID 109003881

IUPACethyl 4-[2-(2-methoxyanilino)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNc2ccccc2OC)CC1
InChIInChI=1S/C16H23N3O4/c1-3-23-16(21)19-10-8-18(9-11-19)15(20)12-17-13-6-4-5-7-14(13)22-2/h4-7,17H,3,8-12H2,1-2H3
InChIKeyVKDUDKCJAWVPQV-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.41
Rot. Bonds5

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

ethyl 4-[2-(2-methoxyanilino)acetyl]piperazine-1-carboxylate (PubChem CID 109003881) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is ethyl 4-[2-(2-methoxyanilino)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2-methoxyanilino)acetyl]piperazine-1-carboxylate
PubChem CID109003881
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Nameethyl 4-[2-(2-methoxyanilino)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNc2ccccc2OC)CC1
InChIInChI=1S/C16H23N3O4/c1-3-23-16(21)19-10-8-18(9-11-19)15(20)12-17-13-6-4-5-7-14(13)22-2/h4-7,17H,3,8-12H2,1-2H3
InChIKeyVKDUDKCJAWVPQV-UHFFFAOYSA-N
XLogP1.41
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone
CID 108996173
ethyl 4-[2-(3-methoxy-2-methylsulfonylanilino)acetyl]piperazine-1-carboxylate
CID 22307359
ethyl 4-[2-(2-fluoroanilino)acetyl]piperazine-1-carboxylate
CID 109003873
1-(4-aminopiperidin-1-yl)-2-(2-methoxyanilino)ethanone
CID 119373605
ethyl 4-[2-[(2,6-dimethoxybenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 110285411
2-(2-methoxyanilino)-1-piperazin-1-ylethanone;dihydrochloride
CID 119400813
ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate
CID 694651
2-(2-ethoxyanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 109004159
ethyl 4-[2-[2-(2-methoxyphenyl)ethylamino]acetyl]piperazine-1-carboxylate
CID 109000609
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone
CID 119644996
ethyl 4-[2-(3-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 109003882
ethyl 4-[2-(2,4-difluoroanilino)acetyl]piperazine-1-carboxylate
CID 109003914

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2-methoxyanilino)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(2-methoxyanilino)acetyl]piperazine-1-carboxylate (CID 109003881) is ethyl 4-[2-(2-methoxyanilino)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2-methoxyanilino)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(2-methoxyanilino)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CNc2ccccc2OC)CC1.
What is the InChIKey of ethyl 4-[2-(2-methoxyanilino)acetyl]piperazine-1-carboxylate?
The InChIKey is VKDUDKCJAWVPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-3-23-16(21)19-10-8-18(9-11-19)15(20)12-17-13-6-4-5-7-14(13)22-2/h4-7,17H,3,8-12H2,1-2H3.
What are the key properties of ethyl 4-[2-(2-methoxyanilino)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(2-methoxyanilino)acetyl]piperazine-1-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2-methoxyanilino)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 109003881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).