1-cyclopentylpiperazin-2-one;2,2,2-trifluoroacetic acid

C11H17F3N2O3 — CID 75530651

IUPAC1-cyclopentylpiperazin-2-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CNCCN1C1CCCC1
InChIInChI=1S/C9H16N2O.C2HF3O2/c12-9-7-10-5-6-11(9)8-3-1-2-4-8;3-2(4,5)1(6)7/h8,10H,1-7H2;(H,6,7)
InChIKeyDVSXPKITUZJOJJ-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.99
Rot. Bonds1

About 1-cyclopentylpiperazin-2-one;2,2,2-trifluoroacetic acid

1-cyclopentylpiperazin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 75530651) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 1-cyclopentylpiperazin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-cyclopentylpiperazin-2-one;2,2,2-trifluoroacetic acid
PubChem CID75530651
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name1-cyclopentylpiperazin-2-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CNCCN1C1CCCC1
InChIInChI=1S/C9H16N2O.C2HF3O2/c12-9-7-10-5-6-11(9)8-3-1-2-4-8;3-2(4,5)1(6)7/h8,10H,1-7H2;(H,6,7)
InChIKeyDVSXPKITUZJOJJ-UHFFFAOYSA-N
XLogP0.99
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylpiperazin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-cyclopentylpiperazin-2-one;2,2,2-trifluoroacetic acid (CID 75530651) is 1-cyclopentylpiperazin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-cyclopentylpiperazin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-cyclopentylpiperazin-2-one;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C1CNCCN1C1CCCC1.
What is the InChIKey of 1-cyclopentylpiperazin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is DVSXPKITUZJOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.C2HF3O2/c12-9-7-10-5-6-11(9)8-3-1-2-4-8;3-2(4,5)1(6)7/h8,10H,1-7H2;(H,6,7).
What are the key properties of 1-cyclopentylpiperazin-2-one;2,2,2-trifluoroacetic acid?
1-cyclopentylpiperazin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 282.26 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylpiperazin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 75530651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).