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

C20H22N2O4 — CID 1116205

IUPACethyl 4-(2-phenoxybenzoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1
InChIInChI=1S/C20H22N2O4/c1-2-25-20(24)22-14-12-21(13-15-22)19(23)17-10-6-7-11-18(17)26-16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3
InChIKeyUUOIUFKQZLRSGU-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.39
Rot. Bonds4

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

ethyl 4-(2-phenoxybenzoyl)piperazine-1-carboxylate (PubChem CID 1116205) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is ethyl 4-(2-phenoxybenzoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-phenoxybenzoyl)piperazine-1-carboxylate
PubChem CID1116205
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Nameethyl 4-(2-phenoxybenzoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1
InChIInChI=1S/C20H22N2O4/c1-2-25-20(24)22-14-12-21(13-15-22)19(23)17-10-6-7-11-18(17)26-16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3
InChIKeyUUOIUFKQZLRSGU-UHFFFAOYSA-N
XLogP3.39
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-phenoxybenzoyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-phenoxybenzoyl)piperazine-1-carboxylate (CID 1116205) is ethyl 4-(2-phenoxybenzoyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-phenoxybenzoyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-phenoxybenzoyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1.
What is the InChIKey of ethyl 4-(2-phenoxybenzoyl)piperazine-1-carboxylate?
The InChIKey is UUOIUFKQZLRSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-2-25-20(24)22-14-12-21(13-15-22)19(23)17-10-6-7-11-18(17)26-16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3.
What are the key properties of ethyl 4-(2-phenoxybenzoyl)piperazine-1-carboxylate?
ethyl 4-(2-phenoxybenzoyl)piperazine-1-carboxylate has a molecular weight of 354.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-phenoxybenzoyl)piperazine-1-carboxylate is sourced from PubChem (CID 1116205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).