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

C19H20F3N3O — CID 31773151

IUPACN-phenyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H20F3N3O/c20-19(21,22)16-6-4-5-15(13-16)14-24-9-11-25(12-10-24)18(26)23-17-7-2-1-3-8-17/h1-8,13H,9-12,14H2,(H,23,26)
InChIKeyLDLJOMMANLWFBU-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.06
Rot. Bonds3

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

N-phenyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide (PubChem CID 31773151) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is N-phenyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
PubChem CID31773151
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC NameN-phenyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H20F3N3O/c20-19(21,22)16-6-4-5-15(13-16)14-24-9-11-25(12-10-24)18(26)23-17-7-2-1-3-8-17/h1-8,13H,9-12,14H2,(H,23,26)
InChIKeyLDLJOMMANLWFBU-UHFFFAOYSA-N
XLogP4.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-phenyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide (CID 31773151) is N-phenyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-phenyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-phenyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-phenyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is LDLJOMMANLWFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c20-19(21,22)16-6-4-5-15(13-16)14-24-9-11-25(12-10-24)18(26)23-17-7-2-1-3-8-17/h1-8,13H,9-12,14H2,(H,23,26).
What are the key properties of N-phenyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide?
N-phenyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 31773151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).