4-benzhydryl-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide

C24H22F3N3O — CID 46100869

IUPAC4-benzhydryl-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1c(F)cc(F)cc1F)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H22F3N3O/c25-19-15-20(26)22(21(27)16-19)28-24(31)30-13-11-29(12-14-30)23(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,15-16,23H,11-14H2,(H,28,31)
InChIKeyRPGZMZFBGCMWTD-UHFFFAOYSA-N
MW425.45 g/mol
LogP5.04
Rot. Bonds4

About 4-benzhydryl-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide

4-benzhydryl-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide (PubChem CID 46100869) has the molecular formula C24H22F3N3O and a molecular weight of 425.45 g/mol. Its IUPAC name is 4-benzhydryl-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzhydryl-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide
PubChem CID46100869
Molecular FormulaC24H22F3N3O
Molecular Weight425.45 g/mol
Exact Mass425.17
IUPAC Name4-benzhydryl-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1c(F)cc(F)cc1F)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H22F3N3O/c25-19-15-20(26)22(21(27)16-19)28-24(31)30-13-11-29(12-14-30)23(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,15-16,23H,11-14H2,(H,28,31)
InChIKeyRPGZMZFBGCMWTD-UHFFFAOYSA-N
XLogP5.04
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.45
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide
CID 43834011
N-(2-fluoro-5-methylphenyl)-4-[(R)-(4-methylphenyl)-phenylmethyl]piperazine-1-carboxamide
CID 92768345
(4-benzhydrylpiperazin-1-yl)-(3,5-difluorophenyl)methanone
CID 9337064
4-benzhydryl-N-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 108871381
4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide
CID 92767755
4-[(R)-(4-chlorophenyl)-phenylmethyl]-N-(2-fluoro-5-methylphenyl)piperazine-1-carboxamide
CID 92768972
4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 1358692
4-benzhydryl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2212510
N-(3-acetylphenyl)-4-benzhydrylpiperazine-1-carboxamide
CID 2955113
2-(4-benzhydrylpiperazin-1-yl)-N-(2,5-difluorophenyl)-2-oxoacetamide
CID 44902244
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
4-benzhydryl-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 24528636

Frequently Asked Questions

What is the IUPAC name of 4-benzhydryl-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-benzhydryl-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide (CID 46100869) is 4-benzhydryl-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-benzhydryl-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-benzhydryl-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide is O=C(Nc1c(F)cc(F)cc1F)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-benzhydryl-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide?
The InChIKey is RPGZMZFBGCMWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O/c25-19-15-20(26)22(21(27)16-19)28-24(31)30-13-11-29(12-14-30)23(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,15-16,23H,11-14H2,(H,28,31).
What are the key properties of 4-benzhydryl-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide?
4-benzhydryl-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide has a molecular weight of 425.45 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryl-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 46100869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).