5-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide

C12H20F3N3O2 — CID 107435225

IUPAC5-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C1CNC(=O)CN1
InChIInChI=1S/C12H20F3N3O2/c1-3-8(4-2)18(7-12(13,14)15)11(20)9-5-17-10(19)6-16-9/h8-9,16H,3-7H2,1-2H3,(H,17,19)
InChIKeyKNRVBTPDJHAJRB-UHFFFAOYSA-N
MW295.31 g/mol
LogP0.65
Rot. Bonds5

About 5-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide

5-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide (PubChem CID 107435225) has the molecular formula C12H20F3N3O2 and a molecular weight of 295.31 g/mol. Its IUPAC name is 5-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
PubChem CID107435225
Molecular FormulaC12H20F3N3O2
Molecular Weight295.31 g/mol
Exact Mass295.15
IUPAC Name5-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C1CNC(=O)CN1
InChIInChI=1S/C12H20F3N3O2/c1-3-8(4-2)18(7-12(13,14)15)11(20)9-5-17-10(19)6-16-9/h8-9,16H,3-7H2,1-2H3,(H,17,19)
InChIKeyKNRVBTPDJHAJRB-UHFFFAOYSA-N
XLogP0.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-N-propan-2-yl-N-propylpiperazine-2-carboxamide
CID 107433786
N-ethyl-N-methyl-5-oxopiperazine-2-carboxamide
CID 107433774
N-ethyl-N-(2-methylbutyl)-5-oxopiperazine-2-carboxamide
CID 107437031
4-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 114428482
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 54872289
N-cyclopropyl-5-oxo-N-propylpiperazine-2-carboxamide
CID 107433788
N-ethyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide
CID 107435117
N-(4-ethylcyclohexyl)-N-methyl-5-oxopiperazine-2-carboxamide
CID 107435465
5-oxo-N-pentan-3-ylpiperazine-2-carboxamide
CID 107433338
N-(3-hydroxybutyl)-N-methyl-5-oxopiperazine-2-carboxamide
CID 107437656
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64592998
N-(2-cyanopropyl)-N-ethyl-5-oxopiperazine-2-carboxamide
CID 107435329

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The IUPAC name of 5-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide (CID 107435225) is 5-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The canonical SMILES for 5-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide is CCC(CC)N(CC(F)(F)F)C(=O)C1CNC(=O)CN1.
What is the InChIKey of 5-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The InChIKey is KNRVBTPDJHAJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O2/c1-3-8(4-2)18(7-12(13,14)15)11(20)9-5-17-10(19)6-16-9/h8-9,16H,3-7H2,1-2H3,(H,17,19).
What are the key properties of 5-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
5-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide has a molecular weight of 295.31 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide is sourced from PubChem (CID 107435225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).