ethyl 4-[2-(4-chlorophenoxy)ethylcarbamoyl]piperazine-1-carboxylate

C16H22ClN3O4 — CID 112970922

IUPACethyl 4-[2-(4-chlorophenoxy)ethylcarbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)NCCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClN3O4/c1-2-23-16(22)20-10-8-19(9-11-20)15(21)18-7-12-24-14-5-3-13(17)4-6-14/h3-6H,2,7-12H2,1H3,(H,18,21)
InChIKeyMVPZSVZWMMGYEG-UHFFFAOYSA-N
MW355.82 g/mol
LogP2.20
Rot. Bonds5

About ethyl 4-[2-(4-chlorophenoxy)ethylcarbamoyl]piperazine-1-carboxylate

ethyl 4-[2-(4-chlorophenoxy)ethylcarbamoyl]piperazine-1-carboxylate (PubChem CID 112970922) has the molecular formula C16H22ClN3O4 and a molecular weight of 355.82 g/mol. Its IUPAC name is ethyl 4-[2-(4-chlorophenoxy)ethylcarbamoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(4-chlorophenoxy)ethylcarbamoyl]piperazine-1-carboxylate
PubChem CID112970922
Molecular FormulaC16H22ClN3O4
Molecular Weight355.82 g/mol
Exact Mass355.13
IUPAC Nameethyl 4-[2-(4-chlorophenoxy)ethylcarbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)NCCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClN3O4/c1-2-23-16(22)20-10-8-19(9-11-20)15(21)18-7-12-24-14-5-3-13(17)4-6-14/h3-6H,2,7-12H2,1H3,(H,18,21)
InChIKeyMVPZSVZWMMGYEG-UHFFFAOYSA-N
XLogP2.20
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[2-(4-ethylphenoxy)ethylcarbamoyl]piperazine-1-carboxylate
CID 112972060
N-[2-(4-chlorophenoxy)ethyl]-4-formylpiperazine-1-carboxamide
CID 112970900
N-[2-(4-chlorophenoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111437978
N-[2-(4-chlorophenoxy)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 27532771
ethyl 4-[[N-[2-(4-chlorophenoxy)ethyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111327906
N-[2-(4-chlorophenoxy)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110895069
methyl 4-[3-(4-methylphenoxy)propylcarbamoyl]piperazine-1-carboxylate
CID 108881529
N-[2-(4-methylphenoxy)ethyl]azepane-1-carboxamide
CID 112970074
ethyl N-[2-[4-(4-chlorophenoxy)phenoxy]ethyl]carbamate
CID 19881385
4-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide
CID 112972518
N-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 22830514
ethyl 2-[2-(4-chlorophenoxy)ethylcarbamoyloxy]acetate
CID 91288841

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-chlorophenoxy)ethylcarbamoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(4-chlorophenoxy)ethylcarbamoyl]piperazine-1-carboxylate (CID 112970922) is ethyl 4-[2-(4-chlorophenoxy)ethylcarbamoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(4-chlorophenoxy)ethylcarbamoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(4-chlorophenoxy)ethylcarbamoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)NCCOc2ccc(Cl)cc2)CC1.
What is the InChIKey of ethyl 4-[2-(4-chlorophenoxy)ethylcarbamoyl]piperazine-1-carboxylate?
The InChIKey is MVPZSVZWMMGYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O4/c1-2-23-16(22)20-10-8-19(9-11-20)15(21)18-7-12-24-14-5-3-13(17)4-6-14/h3-6H,2,7-12H2,1H3,(H,18,21).
What are the key properties of ethyl 4-[2-(4-chlorophenoxy)ethylcarbamoyl]piperazine-1-carboxylate?
ethyl 4-[2-(4-chlorophenoxy)ethylcarbamoyl]piperazine-1-carboxylate has a molecular weight of 355.82 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4-chlorophenoxy)ethylcarbamoyl]piperazine-1-carboxylate is sourced from PubChem (CID 112970922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).