1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]piperidin-4-one

C13H20F3N3O2 — CID 62968057

IUPAC1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]piperidin-4-one
SMILESO=C1CCN(C(=O)CN2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C13H20F3N3O2/c14-13(15,16)10-18-7-5-17(6-8-18)9-12(21)19-3-1-11(20)2-4-19/h1-10H2
InChIKeyURMHVWLXMUABAA-UHFFFAOYSA-N
MW307.32 g/mol
LogP0.36
Rot. Bonds3

About 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]piperidin-4-one

1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]piperidin-4-one (PubChem CID 62968057) has the molecular formula C13H20F3N3O2 and a molecular weight of 307.32 g/mol. Its IUPAC name is 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]piperidin-4-one
PubChem CID62968057
Molecular FormulaC13H20F3N3O2
Molecular Weight307.32 g/mol
Exact Mass307.15
IUPAC Name1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]piperidin-4-one
SMILESO=C1CCN(C(=O)CN2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C13H20F3N3O2/c14-13(15,16)10-18-7-5-17(6-8-18)9-12(21)19-3-1-11(20)2-4-19/h1-10H2
InChIKeyURMHVWLXMUABAA-UHFFFAOYSA-N
XLogP0.36
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]piperidin-4-one?
The IUPAC name of 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]piperidin-4-one (CID 62968057) is 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]piperidin-4-one is O=C1CCN(C(=O)CN2CCN(CC(F)(F)F)CC2)CC1.
What is the InChIKey of 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]piperidin-4-one?
The InChIKey is URMHVWLXMUABAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O2/c14-13(15,16)10-18-7-5-17(6-8-18)9-12(21)19-3-1-11(20)2-4-19/h1-10H2.
What are the key properties of 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]piperidin-4-one?
1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]piperidin-4-one has a molecular weight of 307.32 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]piperidin-4-one is sourced from PubChem (CID 62968057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).