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

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Related Compounds

2-(4-Chlorophenoxy)-N-(2-(diethylamino)ethyl)acetamide
CID 28554
2-(2-chlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 2422308
Acetamide, 2-(2,4-dichlorophenoxy)-N-(2-(diethylamino)ethyl)-
CID 206267
2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 1571645
2-(2-Chlorophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 6467230
2-(2-Chloro-4-fluorophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 6468965
1-((2-Chlorophenoxy)acetyl)piperazine
CID 3481726
4-[2-(2-Chlorophenoxy)propanoyl]morpholine
CID 3620543
2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide
CID 684074
1-[(4-Chlorophenoxy)acetyl]piperidine
CID 742653
Methyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-4-carboxylate
CID 2940357
1-[(2,4-Dichlorophenoxy)acetyl]pyrrolidine
CID 544487

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).