ethyl 4-[2-(4-methoxyanilino)-2-oxoethyl]piperazine-1-carboxylate;hydrochloride

C16H24ClN3O4 — CID 44828363

IUPACethyl 4-[2-(4-methoxyanilino)-2-oxoethyl]piperazine-1-carboxylate;hydrochloride
SMILESCCOC(=O)N1CCN(CC(=O)Nc2ccc(OC)cc2)CC1.Cl
InChIInChI=1S/C16H23N3O4.ClH/c1-3-23-16(21)19-10-8-18(9-11-19)12-15(20)17-13-4-6-14(22-2)7-5-13;/h4-7H,3,8-12H2,1-2H3,(H,17,20);1H
InChIKeyPGSAGEROWKHYJA-UHFFFAOYSA-N
MW357.84 g/mol
LogP1.83
Rot. Bonds5

About ethyl 4-[2-(4-methoxyanilino)-2-oxoethyl]piperazine-1-carboxylate;hydrochloride

ethyl 4-[2-(4-methoxyanilino)-2-oxoethyl]piperazine-1-carboxylate;hydrochloride (PubChem CID 44828363) has the molecular formula C16H24ClN3O4 and a molecular weight of 357.84 g/mol. Its IUPAC name is ethyl 4-[2-(4-methoxyanilino)-2-oxoethyl]piperazine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-[2-(4-methoxyanilino)-2-oxoethyl]piperazine-1-carboxylate;hydrochloride
PubChem CID44828363
Molecular FormulaC16H24ClN3O4
Molecular Weight357.84 g/mol
Exact Mass357.15
IUPAC Nameethyl 4-[2-(4-methoxyanilino)-2-oxoethyl]piperazine-1-carboxylate;hydrochloride
SMILESCCOC(=O)N1CCN(CC(=O)Nc2ccc(OC)cc2)CC1.Cl
InChIInChI=1S/C16H23N3O4.ClH/c1-3-23-16(21)19-10-8-18(9-11-19)12-15(20)17-13-4-6-14(22-2)7-5-13;/h4-7H,3,8-12H2,1-2H3,(H,17,20);1H
InChIKeyPGSAGEROWKHYJA-UHFFFAOYSA-N
XLogP1.83
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[2-(4-methoxyanilino)-2-oxoethyl]piperazine-1-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[2-(4-acetylanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 8932201
ethyl 4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperazine-1-carboxylate
CID 8932175
N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9129962
N-(4-methoxyphenyl)-2-(4-methylidenepiperidin-1-yl)acetamide
CID 172904356
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
N-(4-ethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
CID 9259318
ethyl 4-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]piperazine-1-carboxylate
CID 8932058
2-[4-(cyanomethyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 586701
2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2200363
2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 9259187
2-(4-hydroxypiperidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 51171901

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-methoxyanilino)-2-oxoethyl]piperazine-1-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-[2-(4-methoxyanilino)-2-oxoethyl]piperazine-1-carboxylate;hydrochloride (CID 44828363) is ethyl 4-[2-(4-methoxyanilino)-2-oxoethyl]piperazine-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-[2-(4-methoxyanilino)-2-oxoethyl]piperazine-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-[2-(4-methoxyanilino)-2-oxoethyl]piperazine-1-carboxylate;hydrochloride is CCOC(=O)N1CCN(CC(=O)Nc2ccc(OC)cc2)CC1.Cl.
What is the InChIKey of ethyl 4-[2-(4-methoxyanilino)-2-oxoethyl]piperazine-1-carboxylate;hydrochloride?
The InChIKey is PGSAGEROWKHYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4.ClH/c1-3-23-16(21)19-10-8-18(9-11-19)12-15(20)17-13-4-6-14(22-2)7-5-13;/h4-7H,3,8-12H2,1-2H3,(H,17,20);1H.
What are the key properties of ethyl 4-[2-(4-methoxyanilino)-2-oxoethyl]piperazine-1-carboxylate;hydrochloride?
ethyl 4-[2-(4-methoxyanilino)-2-oxoethyl]piperazine-1-carboxylate;hydrochloride has a molecular weight of 357.84 g/mol, XLogP of 1.83, 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-methoxyanilino)-2-oxoethyl]piperazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 44828363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).