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

C18H27N3O4 — CID 112972060

IUPACethyl 4-[2-(4-ethylphenoxy)ethylcarbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)NCCOc2ccc(CC)cc2)CC1
InChIInChI=1S/C18H27N3O4/c1-3-15-5-7-16(8-6-15)25-14-9-19-17(22)20-10-12-21(13-11-20)18(23)24-4-2/h5-8H,3-4,9-14H2,1-2H3,(H,19,22)
InChIKeyKQSGQAGEIORPBS-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.11
Rot. Bonds6

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

ethyl 4-[2-(4-ethylphenoxy)ethylcarbamoyl]piperazine-1-carboxylate (PubChem CID 112972060) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is ethyl 4-[2-(4-ethylphenoxy)ethylcarbamoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(4-ethylphenoxy)ethylcarbamoyl]piperazine-1-carboxylate
PubChem CID112972060
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Nameethyl 4-[2-(4-ethylphenoxy)ethylcarbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)NCCOc2ccc(CC)cc2)CC1
InChIInChI=1S/C18H27N3O4/c1-3-15-5-7-16(8-6-15)25-14-9-19-17(22)20-10-12-21(13-11-20)18(23)24-4-2/h5-8H,3-4,9-14H2,1-2H3,(H,19,22)
InChIKeyKQSGQAGEIORPBS-UHFFFAOYSA-N
XLogP2.11
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 4-[2-(4-ethylphenoxy)ethylcarbamoyl]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

Related Compounds

ethyl 4-[2-(4-chlorophenoxy)ethylcarbamoyl]piperazine-1-carboxylate
CID 112970922
N-[2-(4-ethylphenoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 112972051
methyl 4-[3-(4-methylphenoxy)propylcarbamoyl]piperazine-1-carboxylate
CID 108881529
N-[2-(4-methylphenoxy)ethyl]azepane-1-carboxamide
CID 112970074
ethyl 4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethylcarbamoyl]piperazine-1-carboxylate
CID 112975032
N-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 22830514
4-fluoro-N-[2-(4-propylphenoxy)ethyl]piperidine-1-carboxamide
CID 122566406
N-[2-(3-ethylphenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112971818
ethyl 4-[[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108531181
4-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide
CID 112972518
ethyl 4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 108989656
N-[3-(4-methylphenoxy)propyl]azepane-1-carboxamide
CID 108881332

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-ethylphenoxy)ethylcarbamoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(4-ethylphenoxy)ethylcarbamoyl]piperazine-1-carboxylate (CID 112972060) is ethyl 4-[2-(4-ethylphenoxy)ethylcarbamoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(4-ethylphenoxy)ethylcarbamoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(4-ethylphenoxy)ethylcarbamoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)NCCOc2ccc(CC)cc2)CC1.
What is the InChIKey of ethyl 4-[2-(4-ethylphenoxy)ethylcarbamoyl]piperazine-1-carboxylate?
The InChIKey is KQSGQAGEIORPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-3-15-5-7-16(8-6-15)25-14-9-19-17(22)20-10-12-21(13-11-20)18(23)24-4-2/h5-8H,3-4,9-14H2,1-2H3,(H,19,22).
What are the key properties of ethyl 4-[2-(4-ethylphenoxy)ethylcarbamoyl]piperazine-1-carboxylate?
ethyl 4-[2-(4-ethylphenoxy)ethylcarbamoyl]piperazine-1-carboxylate has a molecular weight of 349.43 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4-ethylphenoxy)ethylcarbamoyl]piperazine-1-carboxylate is sourced from PubChem (CID 112972060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).