ethyl 4-(2-anilinoethylcarbamoyl)piperazine-1-carboxylate

C16H24N4O3 — CID 6734798

IUPACethyl 4-(2-anilinoethylcarbamoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)NCCNc2ccccc2)CC1
InChIInChI=1S/C16H24N4O3/c1-2-23-16(22)20-12-10-19(11-13-20)15(21)18-9-8-17-14-6-4-3-5-7-14/h3-7,17H,2,8-13H2,1H3,(H,18,21)
InChIKeyASAPGKBQTXWWBO-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.58
Rot. Bonds5

About ethyl 4-(2-anilinoethylcarbamoyl)piperazine-1-carboxylate

ethyl 4-(2-anilinoethylcarbamoyl)piperazine-1-carboxylate (PubChem CID 6734798) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is ethyl 4-(2-anilinoethylcarbamoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-anilinoethylcarbamoyl)piperazine-1-carboxylate
PubChem CID6734798
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Nameethyl 4-(2-anilinoethylcarbamoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)NCCNc2ccccc2)CC1
InChIInChI=1S/C16H24N4O3/c1-2-23-16(22)20-12-10-19(11-13-20)15(21)18-9-8-17-14-6-4-3-5-7-14/h3-7,17H,2,8-13H2,1H3,(H,18,21)
InChIKeyASAPGKBQTXWWBO-UHFFFAOYSA-N
XLogP1.58
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.58
H-Bond Donors ≤ 52
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-(2-methylphenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 38151040
ethyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 49132871
ethyl 4-(benzhydrylcarbamoyl)piperazine-1-carboxylate
CID 108867581
ethyl 4-[[3-(4-methylphenyl)-3-oxopropyl]carbamoyl]piperazine-1-carboxylate
CID 108874727
ethyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate
CID 108892364
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
ethyl 4-[2-(4-ethylphenoxy)ethylcarbamoyl]piperazine-1-carboxylate
CID 112972060
ethyl 4-[2-(4-chlorophenoxy)ethylcarbamoyl]piperazine-1-carboxylate
CID 112970922
ethyl 4-(2-anilinobenzoyl)piperazine-1-carboxylate
CID 25344409
ethyl 4-[[3-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 3784054
ethyl 4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 108989656
4-ethyl-N-[2-[(2-phenylacetyl)amino]ethyl]piperazine-1-carboxamide
CID 60612186

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-anilinoethylcarbamoyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-anilinoethylcarbamoyl)piperazine-1-carboxylate (CID 6734798) is ethyl 4-(2-anilinoethylcarbamoyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-anilinoethylcarbamoyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-anilinoethylcarbamoyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)NCCNc2ccccc2)CC1.
What is the InChIKey of ethyl 4-(2-anilinoethylcarbamoyl)piperazine-1-carboxylate?
The InChIKey is ASAPGKBQTXWWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-2-23-16(22)20-12-10-19(11-13-20)15(21)18-9-8-17-14-6-4-3-5-7-14/h3-7,17H,2,8-13H2,1H3,(H,18,21).
What are the key properties of ethyl 4-(2-anilinoethylcarbamoyl)piperazine-1-carboxylate?
ethyl 4-(2-anilinoethylcarbamoyl)piperazine-1-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-anilinoethylcarbamoyl)piperazine-1-carboxylate is sourced from PubChem (CID 6734798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).