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

C16H23N3O4 — CID 109003882

IUPACethyl 4-[2-(3-methoxyanilino)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNc2cccc(OC)c2)CC1
InChIInChI=1S/C16H23N3O4/c1-3-23-16(21)19-9-7-18(8-10-19)15(20)12-17-13-5-4-6-14(11-13)22-2/h4-6,11,17H,3,7-10,12H2,1-2H3
InChIKeyJUFMKSKTYZGBAR-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.41
Rot. Bonds5

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

ethyl 4-[2-(3-methoxyanilino)acetyl]piperazine-1-carboxylate (PubChem CID 109003882) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is ethyl 4-[2-(3-methoxyanilino)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(3-methoxyanilino)acetyl]piperazine-1-carboxylate
PubChem CID109003882
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Nameethyl 4-[2-(3-methoxyanilino)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNc2cccc(OC)c2)CC1
InChIInChI=1S/C16H23N3O4/c1-3-23-16(21)19-9-7-18(8-10-19)15(20)12-17-13-5-4-6-14(11-13)22-2/h4-6,11,17H,3,7-10,12H2,1-2H3
InChIKeyJUFMKSKTYZGBAR-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

ethyl 4-[2-(3-acetamidoanilino)acetyl]piperazine-1-carboxylate
CID 109003894
ethyl 4-[[2-(3-methoxyanilino)acetyl]amino]piperidine-1-carboxylate
CID 109003753
ethyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003643
ethyl 4-[2-(2-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 109003881
ethyl 1-[2-(3-propan-2-yloxyanilino)acetyl]piperidine-4-carboxylate
CID 54830182
ethyl 4-[2-(3-methoxy-2-methylsulfonylanilino)acetyl]piperazine-1-carboxylate
CID 22307359
2-(3-butan-2-yloxyanilino)-1-pyrrolidin-1-ylethanone
CID 62328413
ethyl 4-[2-[(2,6-dimethoxybenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 110285411
methyl 4-(2-anilinoacetyl)piperazine-1-carboxylate
CID 61042223
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-methoxyanilino)ethanone
CID 109005463
ethyl 4-[(2R)-2-(3-methoxyphenoxy)butanoyl]piperazine-1-carboxylate
CID 92684270
ethyl 4-[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]piperazine-1-carboxylate
CID 35508706

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(3-methoxyanilino)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(3-methoxyanilino)acetyl]piperazine-1-carboxylate (CID 109003882) is ethyl 4-[2-(3-methoxyanilino)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(3-methoxyanilino)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(3-methoxyanilino)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CNc2cccc(OC)c2)CC1.
What is the InChIKey of ethyl 4-[2-(3-methoxyanilino)acetyl]piperazine-1-carboxylate?
The InChIKey is JUFMKSKTYZGBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-3-23-16(21)19-9-7-18(8-10-19)15(20)12-17-13-5-4-6-14(11-13)22-2/h4-6,11,17H,3,7-10,12H2,1-2H3.
What are the key properties of ethyl 4-[2-(3-methoxyanilino)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(3-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-(3-methoxyanilino)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 109003882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).