4-[2-[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]acetyl]piperazin-2-one

C13H20F3N3O2 — CID 71861818

IUPAC4-[2-[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]acetyl]piperazin-2-one
SMILESO=C1CN(C(=O)CN(CC2CCC2)CC(F)(F)F)CCN1
InChIInChI=1S/C13H20F3N3O2/c14-13(15,16)9-18(6-10-2-1-3-10)8-12(21)19-5-4-17-11(20)7-19/h10H,1-9H2,(H,17,20)
InChIKeyJJJCWSFSIPBQNW-UHFFFAOYSA-N
MW307.32 g/mol
LogP0.61
Rot. Bonds5

About 4-[2-[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]acetyl]piperazin-2-one

4-[2-[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]acetyl]piperazin-2-one (PubChem CID 71861818) has the molecular formula C13H20F3N3O2 and a molecular weight of 307.32 g/mol. Its IUPAC name is 4-[2-[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]acetyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]acetyl]piperazin-2-one
PubChem CID71861818
Molecular FormulaC13H20F3N3O2
Molecular Weight307.32 g/mol
Exact Mass307.15
IUPAC Name4-[2-[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]acetyl]piperazin-2-one
SMILESO=C1CN(C(=O)CN(CC2CCC2)CC(F)(F)F)CCN1
InChIInChI=1S/C13H20F3N3O2/c14-13(15,16)9-18(6-10-2-1-3-10)8-12(21)19-5-4-17-11(20)7-19/h10H,1-9H2,(H,17,20)
InChIKeyJJJCWSFSIPBQNW-UHFFFAOYSA-N
XLogP0.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]acetyl]piperazin-2-one?
The IUPAC name of 4-[2-[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]acetyl]piperazin-2-one (CID 71861818) is 4-[2-[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]acetyl]piperazin-2-one.
What is the SMILES notation for 4-[2-[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]acetyl]piperazin-2-one?
The canonical SMILES for 4-[2-[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]acetyl]piperazin-2-one is O=C1CN(C(=O)CN(CC2CCC2)CC(F)(F)F)CCN1.
What is the InChIKey of 4-[2-[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]acetyl]piperazin-2-one?
The InChIKey is JJJCWSFSIPBQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O2/c14-13(15,16)9-18(6-10-2-1-3-10)8-12(21)19-5-4-17-11(20)7-19/h10H,1-9H2,(H,17,20).
What are the key properties of 4-[2-[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]acetyl]piperazin-2-one?
4-[2-[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]acetyl]piperazin-2-one has a molecular weight of 307.32 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]acetyl]piperazin-2-one is sourced from PubChem (CID 71861818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).