4-(2-ethoxyphenyl)-N-(3-fluorophenyl)piperazine-1-carboxamide

C19H22FN3O2 — CID 2208405

IUPAC4-(2-ethoxyphenyl)-N-(3-fluorophenyl)piperazine-1-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C19H22FN3O2/c1-2-25-18-9-4-3-8-17(18)22-10-12-23(13-11-22)19(24)21-16-7-5-6-15(20)14-16/h3-9,14H,2,10-13H2,1H3,(H,21,24)
InChIKeyGGHOIYVBCAIXLG-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.58
Rot. Bonds4

About 4-(2-ethoxyphenyl)-N-(3-fluorophenyl)piperazine-1-carboxamide

4-(2-ethoxyphenyl)-N-(3-fluorophenyl)piperazine-1-carboxamide (PubChem CID 2208405) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)-N-(3-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)-N-(3-fluorophenyl)piperazine-1-carboxamide
PubChem CID2208405
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name4-(2-ethoxyphenyl)-N-(3-fluorophenyl)piperazine-1-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C19H22FN3O2/c1-2-25-18-9-4-3-8-17(18)22-10-12-23(13-11-22)19(24)21-16-7-5-6-15(20)14-16/h3-9,14H,2,10-13H2,1H3,(H,21,24)
InChIKeyGGHOIYVBCAIXLG-UHFFFAOYSA-N
XLogP3.58
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)-N-(3-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-ethoxyphenyl)-N-(3-fluorophenyl)piperazine-1-carboxamide (CID 2208405) is 4-(2-ethoxyphenyl)-N-(3-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-ethoxyphenyl)-N-(3-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-ethoxyphenyl)-N-(3-fluorophenyl)piperazine-1-carboxamide is CCOc1ccccc1N1CCN(C(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of 4-(2-ethoxyphenyl)-N-(3-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is GGHOIYVBCAIXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-2-25-18-9-4-3-8-17(18)22-10-12-23(13-11-22)19(24)21-16-7-5-6-15(20)14-16/h3-9,14H,2,10-13H2,1H3,(H,21,24).
What are the key properties of 4-(2-ethoxyphenyl)-N-(3-fluorophenyl)piperazine-1-carboxamide?
4-(2-ethoxyphenyl)-N-(3-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenyl)-N-(3-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 2208405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).