3-pyridin-4-yl-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one

C21H21F3N2O2 — CID 24791509

IUPAC3-pyridin-4-yl-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
SMILESO=C(c1ccc(C(F)(F)F)cc1)C1CCCN(C(=O)CCc2ccncc2)C1
InChIInChI=1S/C21H21F3N2O2/c22-21(23,24)18-6-4-16(5-7-18)20(28)17-2-1-13-26(14-17)19(27)8-3-15-9-11-25-12-10-15/h4-7,9-12,17H,1-3,8,13-14H2
InChIKeyQTKDBKKZIHAVJS-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.15
Rot. Bonds5

About 3-pyridin-4-yl-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one

3-pyridin-4-yl-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one (PubChem CID 24791509) has the molecular formula C21H21F3N2O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is 3-pyridin-4-yl-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-pyridin-4-yl-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
PubChem CID24791509
Molecular FormulaC21H21F3N2O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name3-pyridin-4-yl-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
SMILESO=C(c1ccc(C(F)(F)F)cc1)C1CCCN(C(=O)CCc2ccncc2)C1
InChIInChI=1S/C21H21F3N2O2/c22-21(23,24)18-6-4-16(5-7-18)20(28)17-2-1-13-26(14-17)19(27)8-3-15-9-11-25-12-10-15/h4-7,9-12,17H,1-3,8,13-14H2
InChIKeyQTKDBKKZIHAVJS-UHFFFAOYSA-N
XLogP4.15
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-pyridin-4-yl-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one (CID 24791509) is 3-pyridin-4-yl-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-pyridin-4-yl-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-pyridin-4-yl-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one is O=C(c1ccc(C(F)(F)F)cc1)C1CCCN(C(=O)CCc2ccncc2)C1.
What is the InChIKey of 3-pyridin-4-yl-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one?
The InChIKey is QTKDBKKZIHAVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O2/c22-21(23,24)18-6-4-16(5-7-18)20(28)17-2-1-13-26(14-17)19(27)8-3-15-9-11-25-12-10-15/h4-7,9-12,17H,1-3,8,13-14H2.
What are the key properties of 3-pyridin-4-yl-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one?
3-pyridin-4-yl-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one has a molecular weight of 390.41 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 24791509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).