1-[4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]ethanone

C12H18F3N3O2 — CID 63708609

IUPAC1-[4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2(C(F)(F)F)CCNC2)CC1
InChIInChI=1S/C12H18F3N3O2/c1-9(19)17-4-6-18(7-5-17)10(20)11(12(13,14)15)2-3-16-8-11/h16H,2-8H2,1H3
InChIKeyKRDIPLXQGBVBBA-UHFFFAOYSA-N
MW293.29 g/mol
LogP0.22
Rot. Bonds1

About 1-[4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]ethanone

1-[4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]ethanone (PubChem CID 63708609) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-[4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]ethanone
PubChem CID63708609
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC Name1-[4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2(C(F)(F)F)CCNC2)CC1
InChIInChI=1S/C12H18F3N3O2/c1-9(19)17-4-6-18(7-5-17)10(20)11(12(13,14)15)2-3-16-8-11/h16H,2-8H2,1H3
InChIKeyKRDIPLXQGBVBBA-UHFFFAOYSA-N
XLogP0.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]ethanone (CID 63708609) is 1-[4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)C2(C(F)(F)F)CCNC2)CC1.
What is the InChIKey of 1-[4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is KRDIPLXQGBVBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c1-9(19)17-4-6-18(7-5-17)10(20)11(12(13,14)15)2-3-16-8-11/h16H,2-8H2,1H3.
What are the key properties of 1-[4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]ethanone?
1-[4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 293.29 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 63708609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).