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

C20H22N2O3 — CID 976075

IUPACethyl 4-(2-phenylbenzoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C20H22N2O3/c1-2-25-20(24)22-14-12-21(13-15-22)19(23)18-11-7-6-10-17(18)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3
InChIKeyYYOSZEQNZOULSV-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.27
Rot. Bonds3

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

ethyl 4-(2-phenylbenzoyl)piperazine-1-carboxylate (PubChem CID 976075) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is ethyl 4-(2-phenylbenzoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-phenylbenzoyl)piperazine-1-carboxylate
PubChem CID976075
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Nameethyl 4-(2-phenylbenzoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C20H22N2O3/c1-2-25-20(24)22-14-12-21(13-15-22)19(23)18-11-7-6-10-17(18)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3
InChIKeyYYOSZEQNZOULSV-UHFFFAOYSA-N
XLogP3.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-phenylbenzoyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-phenylbenzoyl)piperazine-1-carboxylate (CID 976075) is ethyl 4-(2-phenylbenzoyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-phenylbenzoyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-phenylbenzoyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccccc2-c2ccccc2)CC1.
What is the InChIKey of ethyl 4-(2-phenylbenzoyl)piperazine-1-carboxylate?
The InChIKey is YYOSZEQNZOULSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-2-25-20(24)22-14-12-21(13-15-22)19(23)18-11-7-6-10-17(18)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3.
What are the key properties of ethyl 4-(2-phenylbenzoyl)piperazine-1-carboxylate?
ethyl 4-(2-phenylbenzoyl)piperazine-1-carboxylate has a molecular weight of 338.41 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-phenylbenzoyl)piperazine-1-carboxylate is sourced from PubChem (CID 976075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).