ethyl 4-[2-(4-acetylanilino)-2-oxoethyl]piperazine-1-carboxylate

C17H23N3O4 — CID 8932201

IUPACethyl 4-[2-(4-acetylanilino)-2-oxoethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(=O)Nc2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C17H23N3O4/c1-3-24-17(23)20-10-8-19(9-11-20)12-16(22)18-15-6-4-14(5-7-15)13(2)21/h4-7H,3,8-12H2,1-2H3,(H,18,22)
InChIKeyZXFCUPAPNXAQJJ-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.60
Rot. Bonds5

About ethyl 4-[2-(4-acetylanilino)-2-oxoethyl]piperazine-1-carboxylate

ethyl 4-[2-(4-acetylanilino)-2-oxoethyl]piperazine-1-carboxylate (PubChem CID 8932201) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is ethyl 4-[2-(4-acetylanilino)-2-oxoethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(4-acetylanilino)-2-oxoethyl]piperazine-1-carboxylate
PubChem CID8932201
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Nameethyl 4-[2-(4-acetylanilino)-2-oxoethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(=O)Nc2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C17H23N3O4/c1-3-24-17(23)20-10-8-19(9-11-20)12-16(22)18-15-6-4-14(5-7-15)13(2)21/h4-7H,3,8-12H2,1-2H3,(H,18,22)
InChIKeyZXFCUPAPNXAQJJ-UHFFFAOYSA-N
XLogP1.60
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]piperazine-1-carboxylate
CID 8932058
ethyl 4-[2-(4-methoxyanilino)-2-oxoethyl]piperazine-1-carboxylate;hydrochloride
CID 44828363
N-(4-acetylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196979
ethyl 4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperazine-1-carboxylate
CID 8932175
2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 2697560
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 8591755
ethyl 4-[(E)-4-(4-acetylanilino)-2-methyl-4-oxobut-2-enoyl]piperazine-1-carboxylate
CID 110832379
ethyl 4-[3-(4-ethoxycarbonylanilino)-3-oxopropyl]piperazine-1-carboxylate
CID 109029191
butyl 4-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]benzoate
CID 8904442
N-(4-acetylphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
CID 8703707
ethyl (3S)-1-[2-(4-acetylanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8533005
ethyl 4-[2-(3-fluoroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 2654273

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-acetylanilino)-2-oxoethyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(4-acetylanilino)-2-oxoethyl]piperazine-1-carboxylate (CID 8932201) is ethyl 4-[2-(4-acetylanilino)-2-oxoethyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(4-acetylanilino)-2-oxoethyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(4-acetylanilino)-2-oxoethyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CC(=O)Nc2ccc(C(C)=O)cc2)CC1.
What is the InChIKey of ethyl 4-[2-(4-acetylanilino)-2-oxoethyl]piperazine-1-carboxylate?
The InChIKey is ZXFCUPAPNXAQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-3-24-17(23)20-10-8-19(9-11-20)12-16(22)18-15-6-4-14(5-7-15)13(2)21/h4-7H,3,8-12H2,1-2H3,(H,18,22).
What are the key properties of ethyl 4-[2-(4-acetylanilino)-2-oxoethyl]piperazine-1-carboxylate?
ethyl 4-[2-(4-acetylanilino)-2-oxoethyl]piperazine-1-carboxylate has a molecular weight of 333.39 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4-acetylanilino)-2-oxoethyl]piperazine-1-carboxylate is sourced from PubChem (CID 8932201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).