4-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C20H22F3N3O2 — CID 1297371

IUPAC4-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H22F3N3O2/c1-2-28-18-10-6-5-9-17(18)25-11-13-26(14-12-25)19(27)24-16-8-4-3-7-15(16)20(21,22)23/h3-10H,2,11-14H2,1H3,(H,24,27)
InChIKeyRERHRYYCSYYUPD-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.46
Rot. Bonds4

About 4-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide

4-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 1297371) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID1297371
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC Name4-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H22F3N3O2/c1-2-28-18-10-6-5-9-17(18)25-11-13-26(14-12-25)19(27)24-16-8-4-3-7-15(16)20(21,22)23/h3-10H,2,11-14H2,1H3,(H,24,27)
InChIKeyRERHRYYCSYYUPD-UHFFFAOYSA-N
XLogP4.46
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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BX-471 free base
CID 512282
1-(2-(Benzyloxy)phenyl)piperazine
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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 1297371) is 4-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide is CCOc1ccccc1N1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 4-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is RERHRYYCSYYUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-2-28-18-10-6-5-9-17(18)25-11-13-26(14-12-25)19(27)24-16-8-4-3-7-15(16)20(21,22)23/h3-10H,2,11-14H2,1H3,(H,24,27).
What are the key properties of 4-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
4-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 393.41 g/mol, XLogP of 4.46, 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-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 1297371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).