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

C17H24N4O4 — CID 109003894

IUPACethyl 4-[2-(3-acetamidoanilino)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNc2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C17H24N4O4/c1-3-25-17(24)21-9-7-20(8-10-21)16(23)12-18-14-5-4-6-15(11-14)19-13(2)22/h4-6,11,18H,3,7-10,12H2,1-2H3,(H,19,22)
InChIKeyQBPUMQGVOHHHSB-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.36
Rot. Bonds5

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

ethyl 4-[2-(3-acetamidoanilino)acetyl]piperazine-1-carboxylate (PubChem CID 109003894) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is ethyl 4-[2-(3-acetamidoanilino)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(3-acetamidoanilino)acetyl]piperazine-1-carboxylate
PubChem CID109003894
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Nameethyl 4-[2-(3-acetamidoanilino)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNc2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C17H24N4O4/c1-3-25-17(24)21-9-7-20(8-10-21)16(23)12-18-14-5-4-6-15(11-14)19-13(2)22/h4-6,11,18H,3,7-10,12H2,1-2H3,(H,19,22)
InChIKeyQBPUMQGVOHHHSB-UHFFFAOYSA-N
XLogP1.36
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-(3-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 109003882
ethyl 4-[3-(4-acetamidoanilino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108950364
ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate
CID 9451154
ethyl 4-[[2-(3-acetamidoanilino)acetyl]amino]benzoate
CID 109009936
ethyl 4-[2-(2-ethyl-6-methylanilino)acetyl]piperazine-1-carboxylate
CID 109003865
2-(3-acetylanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 108995450
methyl 4-(2-anilinoacetyl)piperazine-1-carboxylate
CID 61042223
N-[3-[[2-(azepan-1-yl)-2-oxoethyl]amino]phenyl]hexanamide
CID 54842689
1-(4-acetylpiperazin-1-yl)-2-(3-chloroanilino)ethanone
CID 108996168
ethyl 4-[2-(2-fluoroanilino)acetyl]piperazine-1-carboxylate
CID 109003873
ethyl 4-[2-(2-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 109003881
ethyl 4-[2,2-dimethyl-3-(3-methylanilino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108965342

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(3-acetamidoanilino)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(3-acetamidoanilino)acetyl]piperazine-1-carboxylate (CID 109003894) is ethyl 4-[2-(3-acetamidoanilino)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(3-acetamidoanilino)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(3-acetamidoanilino)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CNc2cccc(NC(C)=O)c2)CC1.
What is the InChIKey of ethyl 4-[2-(3-acetamidoanilino)acetyl]piperazine-1-carboxylate?
The InChIKey is QBPUMQGVOHHHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-3-25-17(24)21-9-7-20(8-10-21)16(23)12-18-14-5-4-6-15(11-14)19-13(2)22/h4-6,11,18H,3,7-10,12H2,1-2H3,(H,19,22).
What are the key properties of ethyl 4-[2-(3-acetamidoanilino)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(3-acetamidoanilino)acetyl]piperazine-1-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(3-acetamidoanilino)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 109003894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).