2-(4-ethoxyphenyl)ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate

C24H32N2O3 — CID 11047568

IUPAC2-(4-ethoxyphenyl)ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate
SMILESCCOc1ccc(CCOC(=O)N2CCN(CCCc3ccccc3)CC2)cc1
InChIInChI=1S/C24H32N2O3/c1-2-28-23-12-10-22(11-13-23)14-20-29-24(27)26-18-16-25(17-19-26)15-6-9-21-7-4-3-5-8-21/h3-5,7-8,10-13H,2,6,9,14-20H2,1H3
InChIKeyFOQLLAFYKYEUAL-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.01
Rot. Bonds9

About 2-(4-ethoxyphenyl)ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate

2-(4-ethoxyphenyl)ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate (PubChem CID 11047568) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate
PubChem CID11047568
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name2-(4-ethoxyphenyl)ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate
SMILESCCOc1ccc(CCOC(=O)N2CCN(CCCc3ccccc3)CC2)cc1
InChIInChI=1S/C24H32N2O3/c1-2-28-23-12-10-22(11-13-23)14-20-29-24(27)26-18-16-25(17-19-26)15-6-9-21-7-4-3-5-8-21/h3-5,7-8,10-13H,2,6,9,14-20H2,1H3
InChIKeyFOQLLAFYKYEUAL-UHFFFAOYSA-N
XLogP4.01
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate?
The IUPAC name of 2-(4-ethoxyphenyl)ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate (CID 11047568) is 2-(4-ethoxyphenyl)ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate.
What is the SMILES notation for 2-(4-ethoxyphenyl)ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate?
The canonical SMILES for 2-(4-ethoxyphenyl)ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate is CCOc1ccc(CCOC(=O)N2CCN(CCCc3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate?
The InChIKey is FOQLLAFYKYEUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-2-28-23-12-10-22(11-13-23)14-20-29-24(27)26-18-16-25(17-19-26)15-6-9-21-7-4-3-5-8-21/h3-5,7-8,10-13H,2,6,9,14-20H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate?
2-(4-ethoxyphenyl)ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate has a molecular weight of 396.53 g/mol, XLogP of 4.01, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate is sourced from PubChem (CID 11047568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).