phenyl-[4-[1-[3-[4-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]piperazin-1-yl]methanone

C28H26F3N3O2 — CID 66839871

IUPACphenyl-[4-[1-[3-[4-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(C2CN(C(=O)c3cccc(-c4ccc(C(F)(F)F)cc4)c3)C2)CC1
InChIInChI=1S/C28H26F3N3O2/c29-28(30,31)24-11-9-20(10-12-24)22-7-4-8-23(17-22)27(36)34-18-25(19-34)32-13-15-33(16-14-32)26(35)21-5-2-1-3-6-21/h1-12,17,25H,13-16,18-19H2
InChIKeyULZDFJTZWYILRB-UHFFFAOYSA-N
MW493.53 g/mol
LogP4.65
Rot. Bonds4

About phenyl-[4-[1-[3-[4-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]piperazin-1-yl]methanone

phenyl-[4-[1-[3-[4-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]piperazin-1-yl]methanone (PubChem CID 66839871) has the molecular formula C28H26F3N3O2 and a molecular weight of 493.53 g/mol. Its IUPAC name is phenyl-[4-[1-[3-[4-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-[1-[3-[4-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]piperazin-1-yl]methanone
PubChem CID66839871
Molecular FormulaC28H26F3N3O2
Molecular Weight493.53 g/mol
Exact Mass493.20
IUPAC Namephenyl-[4-[1-[3-[4-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(C2CN(C(=O)c3cccc(-c4ccc(C(F)(F)F)cc4)c3)C2)CC1
InChIInChI=1S/C28H26F3N3O2/c29-28(30,31)24-11-9-20(10-12-24)22-7-4-8-23(17-22)27(36)34-18-25(19-34)32-13-15-33(16-14-32)26(35)21-5-2-1-3-6-21/h1-12,17,25H,13-16,18-19H2
InChIKeyULZDFJTZWYILRB-UHFFFAOYSA-N
XLogP4.65
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.53
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-[4-[1-[3-phenyl-6-(trifluoromethyl)-1-benzothiophene-2-carbonyl]azetidin-3-yl]piperazin-1-yl]methanone
CID 66840782
1-[4-[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]piperazin-1-yl]ethanone
CID 84582681
(4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone
CID 66840199
[3-phenyl-5-(trifluoromethyl)phenyl]-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840649
[4-[1-(4-aminobenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 59625892
(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297
1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone
CID 110755413
(4-cycloheptylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 113074934
phenyl-[3-[4-(2-phenyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840430
N-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46599278
[4-[1-(2-methyl-5-phenylfuran-3-carbonyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 66840052
N-[4-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]phenyl]-4,4,4-trifluorobutanamide
CID 59625912

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[1-[3-[4-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of phenyl-[4-[1-[3-[4-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]piperazin-1-yl]methanone (CID 66839871) is phenyl-[4-[1-[3-[4-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-[1-[3-[4-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for phenyl-[4-[1-[3-[4-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]piperazin-1-yl]methanone is O=C(c1ccccc1)N1CCN(C2CN(C(=O)c3cccc(-c4ccc(C(F)(F)F)cc4)c3)C2)CC1.
What is the InChIKey of phenyl-[4-[1-[3-[4-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]piperazin-1-yl]methanone?
The InChIKey is ULZDFJTZWYILRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3N3O2/c29-28(30,31)24-11-9-20(10-12-24)22-7-4-8-23(17-22)27(36)34-18-25(19-34)32-13-15-33(16-14-32)26(35)21-5-2-1-3-6-21/h1-12,17,25H,13-16,18-19H2.
What are the key properties of phenyl-[4-[1-[3-[4-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]piperazin-1-yl]methanone?
phenyl-[4-[1-[3-[4-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]piperazin-1-yl]methanone has a molecular weight of 493.53 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[1-[3-[4-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 66839871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).