1-cyclobutyl-5-ethylpiperazin-2-one;2,2,2-trifluoroacetic acid

C12H19F3N2O3 — CID 67363609

IUPAC1-cyclobutyl-5-ethylpiperazin-2-one;2,2,2-trifluoroacetic acid
SMILESCCC1CN(C2CCC2)C(=O)CN1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H18N2O.C2HF3O2/c1-2-8-7-12(9-4-3-5-9)10(13)6-11-8;3-2(4,5)1(6)7/h8-9,11H,2-7H2,1H3;(H,6,7)
InChIKeyVRJZKGBGANZNQH-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.38
Rot. Bonds2

About 1-cyclobutyl-5-ethylpiperazin-2-one;2,2,2-trifluoroacetic acid

1-cyclobutyl-5-ethylpiperazin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 67363609) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 1-cyclobutyl-5-ethylpiperazin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-cyclobutyl-5-ethylpiperazin-2-one;2,2,2-trifluoroacetic acid
PubChem CID67363609
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name1-cyclobutyl-5-ethylpiperazin-2-one;2,2,2-trifluoroacetic acid
SMILESCCC1CN(C2CCC2)C(=O)CN1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H18N2O.C2HF3O2/c1-2-8-7-12(9-4-3-5-9)10(13)6-11-8;3-2(4,5)1(6)7/h8-9,11H,2-7H2,1H3;(H,6,7)
InChIKeyVRJZKGBGANZNQH-UHFFFAOYSA-N
XLogP1.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclobutyl-5-ethylpiperazin-2-one;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 53398839
CID 53398839
CID 66941853
CID 66941853
CID 67085041
CID 67085041
CID 67085070
CID 67085070
CID 67085125
CID 67085125
CID 67085243
CID 67085243
CID 68475367
CID 68475367
CID 68531637
CID 68531637
CID 68900867
CID 68900867
CID 69793201
CID 69793201
CID 69908028
CID 69908028
CID 69908093
CID 69908093

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-5-ethylpiperazin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-cyclobutyl-5-ethylpiperazin-2-one;2,2,2-trifluoroacetic acid (CID 67363609) is 1-cyclobutyl-5-ethylpiperazin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-cyclobutyl-5-ethylpiperazin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-cyclobutyl-5-ethylpiperazin-2-one;2,2,2-trifluoroacetic acid is CCC1CN(C2CCC2)C(=O)CN1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-cyclobutyl-5-ethylpiperazin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is VRJZKGBGANZNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O.C2HF3O2/c1-2-8-7-12(9-4-3-5-9)10(13)6-11-8;3-2(4,5)1(6)7/h8-9,11H,2-7H2,1H3;(H,6,7).
What are the key properties of 1-cyclobutyl-5-ethylpiperazin-2-one;2,2,2-trifluoroacetic acid?
1-cyclobutyl-5-ethylpiperazin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 296.29 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-5-ethylpiperazin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67363609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).