N-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C19H20F3N3O2 — CID 1080841

IUPACN-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C19H20F3N3O2/c1-27-17-7-5-15(6-8-17)23-18(26)25-11-9-24(10-12-25)16-4-2-3-14(13-16)19(20,21)22/h2-8,13H,9-12H2,1H3,(H,23,26)
InChIKeyFSYDGOVQRARHLJ-UHFFFAOYSA-N
MW379.38 g/mol
LogP4.07
Rot. Bonds3

About N-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

N-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 1080841) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID1080841
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC NameN-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C19H20F3N3O2/c1-27-17-7-5-15(6-8-17)23-18(26)25-11-9-24(10-12-25)16-4-2-3-14(13-16)19(20,21)22/h2-8,13H,9-12H2,1H3,(H,23,26)
InChIKeyFSYDGOVQRARHLJ-UHFFFAOYSA-N
XLogP4.07
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 1080841) is N-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is FSYDGOVQRARHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-27-17-7-5-15(6-8-17)23-18(26)25-11-9-24(10-12-25)16-4-2-3-14(13-16)19(20,21)22/h2-8,13H,9-12H2,1H3,(H,23,26).
What are the key properties of N-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
N-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 379.38 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 1080841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).