[1-[3-(1H-imidazol-2-yl)benzoyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone

C23H20F3N3O2 — CID 45218504

IUPAC[1-[3-(1H-imidazol-2-yl)benzoyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)C1CCCN(C(=O)c2cccc(-c3ncc[nH]3)c2)C1
InChIInChI=1S/C23H20F3N3O2/c24-23(25,26)19-8-2-4-15(13-19)20(30)18-7-3-11-29(14-18)22(31)17-6-1-5-16(12-17)21-27-9-10-28-21/h1-2,4-6,8-10,12-13,18H,3,7,11,14H2,(H,27,28)
InChIKeyIUEAYOXXMPEXMX-UHFFFAOYSA-N
MW427.43 g/mol
LogP4.83
Rot. Bonds4

About [1-[3-(1H-imidazol-2-yl)benzoyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone

[1-[3-(1H-imidazol-2-yl)benzoyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 45218504) has the molecular formula C23H20F3N3O2 and a molecular weight of 427.43 g/mol. Its IUPAC name is [1-[3-(1H-imidazol-2-yl)benzoyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[1-[3-(1H-imidazol-2-yl)benzoyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID45218504
Molecular FormulaC23H20F3N3O2
Molecular Weight427.43 g/mol
Exact Mass427.15
IUPAC Name[1-[3-(1H-imidazol-2-yl)benzoyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)C1CCCN(C(=O)c2cccc(-c3ncc[nH]3)c2)C1
InChIInChI=1S/C23H20F3N3O2/c24-23(25,26)19-8-2-4-15(13-19)20(30)18-7-3-11-29(14-18)22(31)17-6-1-5-16(12-17)21-27-9-10-28-21/h1-2,4-6,8-10,12-13,18H,3,7,11,14H2,(H,27,28)
InChIKeyIUEAYOXXMPEXMX-UHFFFAOYSA-N
XLogP4.83
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(1H-imidazol-2-yl)benzoyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [1-[3-(1H-imidazol-2-yl)benzoyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 45218504) is [1-[3-(1H-imidazol-2-yl)benzoyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [1-[3-(1H-imidazol-2-yl)benzoyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [1-[3-(1H-imidazol-2-yl)benzoyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)C1CCCN(C(=O)c2cccc(-c3ncc[nH]3)c2)C1.
What is the InChIKey of [1-[3-(1H-imidazol-2-yl)benzoyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is IUEAYOXXMPEXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O2/c24-23(25,26)19-8-2-4-15(13-19)20(30)18-7-3-11-29(14-18)22(31)17-6-1-5-16(12-17)21-27-9-10-28-21/h1-2,4-6,8-10,12-13,18H,3,7,11,14H2,(H,27,28).
What are the key properties of [1-[3-(1H-imidazol-2-yl)benzoyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
[1-[3-(1H-imidazol-2-yl)benzoyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 427.43 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(1H-imidazol-2-yl)benzoyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 45218504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).