1-[4-[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]piperazin-1-yl]propan-2-one

C15H22F3N3O3 — CID 110665571

IUPAC1-[4-[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]piperazin-1-yl]propan-2-one
SMILESCC(=O)CN1CCN(C(=O)C2CCN(C(=O)C(F)(F)F)CC2)CC1
InChIInChI=1S/C15H22F3N3O3/c1-11(22)10-19-6-8-20(9-7-19)13(23)12-2-4-21(5-3-12)14(24)15(16,17)18/h12H,2-10H2,1H3
InChIKeyOGTVRKCTKXYRAP-UHFFFAOYSA-N
MW349.35 g/mol
LogP0.52
Rot. Bonds3

About 1-[4-[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]piperazin-1-yl]propan-2-one

1-[4-[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]piperazin-1-yl]propan-2-one (PubChem CID 110665571) has the molecular formula C15H22F3N3O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is 1-[4-[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]piperazin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]piperazin-1-yl]propan-2-one
PubChem CID110665571
Molecular FormulaC15H22F3N3O3
Molecular Weight349.35 g/mol
Exact Mass349.16
IUPAC Name1-[4-[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]piperazin-1-yl]propan-2-one
SMILESCC(=O)CN1CCN(C(=O)C2CCN(C(=O)C(F)(F)F)CC2)CC1
InChIInChI=1S/C15H22F3N3O3/c1-11(22)10-19-6-8-20(9-7-19)13(23)12-2-4-21(5-3-12)14(24)15(16,17)18/h12H,2-10H2,1H3
InChIKeyOGTVRKCTKXYRAP-UHFFFAOYSA-N
XLogP0.52
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]piperazin-1-yl]propan-2-one?
The IUPAC name of 1-[4-[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]piperazin-1-yl]propan-2-one (CID 110665571) is 1-[4-[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]piperazin-1-yl]propan-2-one.
What is the SMILES notation for 1-[4-[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]piperazin-1-yl]propan-2-one?
The canonical SMILES for 1-[4-[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]piperazin-1-yl]propan-2-one is CC(=O)CN1CCN(C(=O)C2CCN(C(=O)C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-[4-[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]piperazin-1-yl]propan-2-one?
The InChIKey is OGTVRKCTKXYRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O3/c1-11(22)10-19-6-8-20(9-7-19)13(23)12-2-4-21(5-3-12)14(24)15(16,17)18/h12H,2-10H2,1H3.
What are the key properties of 1-[4-[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]piperazin-1-yl]propan-2-one?
1-[4-[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]piperazin-1-yl]propan-2-one has a molecular weight of 349.35 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]piperazin-1-yl]propan-2-one is sourced from PubChem (CID 110665571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).