(5-phenylpyrazolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C16H20F3N3O — CID 52973040

IUPAC(5-phenylpyrazolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(C1CC(c2ccccc2)NN1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H20F3N3O/c17-16(18,19)12-7-4-8-22(10-12)15(23)14-9-13(20-21-14)11-5-2-1-3-6-11/h1-3,5-6,12-14,20-21H,4,7-10H2
InChIKeyOPFKIILNSXEODT-UHFFFAOYSA-N
MW327.35 g/mol
LogP2.40
Rot. Bonds2

About (5-phenylpyrazolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(5-phenylpyrazolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 52973040) has the molecular formula C16H20F3N3O and a molecular weight of 327.35 g/mol. Its IUPAC name is (5-phenylpyrazolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-phenylpyrazolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID52973040
Molecular FormulaC16H20F3N3O
Molecular Weight327.35 g/mol
Exact Mass327.16
IUPAC Name(5-phenylpyrazolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(C1CC(c2ccccc2)NN1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H20F3N3O/c17-16(18,19)12-7-4-8-22(10-12)15(23)14-9-13(20-21-14)11-5-2-1-3-6-11/h1-3,5-6,12-14,20-21H,4,7-10H2
InChIKeyOPFKIILNSXEODT-UHFFFAOYSA-N
XLogP2.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-phenylpyrazolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-phenylpyrazolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 52973040) is (5-phenylpyrazolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-phenylpyrazolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-phenylpyrazolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(C1CC(c2ccccc2)NN1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of (5-phenylpyrazolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is OPFKIILNSXEODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O/c17-16(18,19)12-7-4-8-22(10-12)15(23)14-9-13(20-21-14)11-5-2-1-3-6-11/h1-3,5-6,12-14,20-21H,4,7-10H2.
What are the key properties of (5-phenylpyrazolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(5-phenylpyrazolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 327.35 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenylpyrazolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 52973040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).