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

C15H18Cl2N2O4 — CID 649610

IUPACethyl 4-[2-(2,4-dichlorophenoxy)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H18Cl2N2O4/c1-2-22-15(21)19-7-5-18(6-8-19)14(20)10-23-13-4-3-11(16)9-12(13)17/h3-4,9H,2,5-8,10H2,1H3
InChIKeySOFNNNLJXHPNRC-UHFFFAOYSA-N
MW361.23 g/mol
LogP2.67
Rot. Bonds4

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

ethyl 4-[2-(2,4-dichlorophenoxy)acetyl]piperazine-1-carboxylate (PubChem CID 649610) has the molecular formula C15H18Cl2N2O4 and a molecular weight of 361.23 g/mol. Its IUPAC name is ethyl 4-[2-(2,4-dichlorophenoxy)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2,4-dichlorophenoxy)acetyl]piperazine-1-carboxylate
PubChem CID649610
Molecular FormulaC15H18Cl2N2O4
Molecular Weight361.23 g/mol
Exact Mass360.06
IUPAC Nameethyl 4-[2-(2,4-dichlorophenoxy)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H18Cl2N2O4/c1-2-22-15(21)19-7-5-18(6-8-19)14(20)10-23-13-4-3-11(16)9-12(13)17/h3-4,9H,2,5-8,10H2,1H3
InChIKeySOFNNNLJXHPNRC-UHFFFAOYSA-N
XLogP2.67
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[2-(2,4-dichlorophenoxy)acetyl]piperazine-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2,4-dichlorophenoxy)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(2,4-dichlorophenoxy)acetyl]piperazine-1-carboxylate (CID 649610) is ethyl 4-[2-(2,4-dichlorophenoxy)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2,4-dichlorophenoxy)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(2,4-dichlorophenoxy)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of ethyl 4-[2-(2,4-dichlorophenoxy)acetyl]piperazine-1-carboxylate?
The InChIKey is SOFNNNLJXHPNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O4/c1-2-22-15(21)19-7-5-18(6-8-19)14(20)10-23-13-4-3-11(16)9-12(13)17/h3-4,9H,2,5-8,10H2,1H3.
What are the key properties of ethyl 4-[2-(2,4-dichlorophenoxy)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(2,4-dichlorophenoxy)acetyl]piperazine-1-carboxylate has a molecular weight of 361.23 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2,4-dichlorophenoxy)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 649610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).