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

C25H24F3N3O — CID 2212510

IUPAC4-benzhydryl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H24F3N3O/c26-25(27,28)21-13-7-8-14-22(21)29-24(32)31-17-15-30(16-18-31)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23H,15-18H2,(H,29,32)
InChIKeyFSSASDHRWOQGFL-UHFFFAOYSA-N
MW439.48 g/mol
LogP5.64
Rot. Bonds4

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

4-benzhydryl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 2212510) has the molecular formula C25H24F3N3O and a molecular weight of 439.48 g/mol. Its IUPAC name is 4-benzhydryl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzhydryl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID2212510
Molecular FormulaC25H24F3N3O
Molecular Weight439.48 g/mol
Exact Mass439.19
IUPAC Name4-benzhydryl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H24F3N3O/c26-25(27,28)21-13-7-8-14-22(21)29-24(32)31-17-15-30(16-18-31)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23H,15-18H2,(H,29,32)
InChIKeyFSSASDHRWOQGFL-UHFFFAOYSA-N
XLogP5.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.48
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzhydryl-N-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 108871381
4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide
CID 43834011
4-[(2R)-1-methoxypropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 95150226
4-benzhydryl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 2822264
4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 3857364
4-benzhydryl-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide
CID 46100869
4-butyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17185767
N-(2-fluoro-5-methylphenyl)-4-[(R)-(4-methylphenyl)-phenylmethyl]piperazine-1-carboxamide
CID 92768345
(3R)-3-hydroxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78931972
(3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 51895142
N-[2-(trifluoromethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 970571
4-(6-piperidin-1-ylpyridazin-3-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 122334838

Frequently Asked Questions

What is the IUPAC name of 4-benzhydryl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-benzhydryl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 2212510) is 4-benzhydryl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-benzhydryl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-benzhydryl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide is O=C(Nc1ccccc1C(F)(F)F)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-benzhydryl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is FSSASDHRWOQGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O/c26-25(27,28)21-13-7-8-14-22(21)29-24(32)31-17-15-30(16-18-31)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23H,15-18H2,(H,29,32).
What are the key properties of 4-benzhydryl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
4-benzhydryl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 2212510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).