1-(4-benzoylpiperidin-1-yl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethanone

C22H23F3N2O2 — CID 86861012

IUPAC1-(4-benzoylpiperidin-1-yl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)CNC(c2ccccc2)C(F)(F)F)CC1
InChIInChI=1S/C22H23F3N2O2/c23-22(24,25)21(18-9-5-2-6-10-18)26-15-19(28)27-13-11-17(12-14-27)20(29)16-7-3-1-4-8-16/h1-10,17,21,26H,11-15H2
InChIKeyDGBCMZFPGZRHFT-UHFFFAOYSA-N
MW404.43 g/mol
LogP4.00
Rot. Bonds6

About 1-(4-benzoylpiperidin-1-yl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethanone

1-(4-benzoylpiperidin-1-yl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethanone (PubChem CID 86861012) has the molecular formula C22H23F3N2O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is 1-(4-benzoylpiperidin-1-yl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethanone.

Molecular Properties

Compound Name1-(4-benzoylpiperidin-1-yl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethanone
PubChem CID86861012
Molecular FormulaC22H23F3N2O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC Name1-(4-benzoylpiperidin-1-yl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)CNC(c2ccccc2)C(F)(F)F)CC1
InChIInChI=1S/C22H23F3N2O2/c23-22(24,25)21(18-9-5-2-6-10-18)26-15-19(28)27-13-11-17(12-14-27)20(29)16-7-3-1-4-8-16/h1-10,17,21,26H,11-15H2
InChIKeyDGBCMZFPGZRHFT-UHFFFAOYSA-N
XLogP4.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoylpiperidin-1-yl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethanone?
The IUPAC name of 1-(4-benzoylpiperidin-1-yl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethanone (CID 86861012) is 1-(4-benzoylpiperidin-1-yl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethanone.
What is the SMILES notation for 1-(4-benzoylpiperidin-1-yl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethanone?
The canonical SMILES for 1-(4-benzoylpiperidin-1-yl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethanone is O=C(c1ccccc1)C1CCN(C(=O)CNC(c2ccccc2)C(F)(F)F)CC1.
What is the InChIKey of 1-(4-benzoylpiperidin-1-yl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethanone?
The InChIKey is DGBCMZFPGZRHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O2/c23-22(24,25)21(18-9-5-2-6-10-18)26-15-19(28)27-13-11-17(12-14-27)20(29)16-7-3-1-4-8-16/h1-10,17,21,26H,11-15H2.
What are the key properties of 1-(4-benzoylpiperidin-1-yl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethanone?
1-(4-benzoylpiperidin-1-yl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethanone has a molecular weight of 404.43 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoylpiperidin-1-yl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethanone is sourced from PubChem (CID 86861012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).