5-methyl-N-(4,4,4-trifluorobutan-2-yl)piperazine-2-carboxamide

C10H18F3N3O — CID 114130979

IUPAC5-methyl-N-(4,4,4-trifluorobutan-2-yl)piperazine-2-carboxamide
SMILESCC1CNC(C(=O)NC(C)CC(F)(F)F)CN1
InChIInChI=1S/C10H18F3N3O/c1-6(3-10(11,12)13)16-9(17)8-5-14-7(2)4-15-8/h6-8,14-15H,3-5H2,1-2H3,(H,16,17)
InChIKeyRANKWNRCCJCVMJ-UHFFFAOYSA-N
MW253.27 g/mol
LogP0.39
Rot. Bonds3

About 5-methyl-N-(4,4,4-trifluorobutan-2-yl)piperazine-2-carboxamide

5-methyl-N-(4,4,4-trifluorobutan-2-yl)piperazine-2-carboxamide (PubChem CID 114130979) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 5-methyl-N-(4,4,4-trifluorobutan-2-yl)piperazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4,4,4-trifluorobutan-2-yl)piperazine-2-carboxamide
PubChem CID114130979
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name5-methyl-N-(4,4,4-trifluorobutan-2-yl)piperazine-2-carboxamide
SMILESCC1CNC(C(=O)NC(C)CC(F)(F)F)CN1
InChIInChI=1S/C10H18F3N3O/c1-6(3-10(11,12)13)16-9(17)8-5-14-7(2)4-15-8/h6-8,14-15H,3-5H2,1-2H3,(H,16,17)
InChIKeyRANKWNRCCJCVMJ-UHFFFAOYSA-N
XLogP0.39
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-methyl-N-(4,4,4-trifluorobutan-2-yl)piperazine-2-carboxamide 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

5-methyl-N-pentan-3-ylpiperazine-2-carboxamide
CID 63102564
N-(3-ethylpentan-2-yl)-5-methylpiperazine-2-carboxamide
CID 63837288
5-methyl-N-(2-methylpentan-3-yl)piperazine-2-carboxamide
CID 63104022
N-(2-methoxypropyl)-5-methylpiperazine-2-carboxamide
CID 102698384
N-(1-amino-2-methyl-1-oxobutan-2-yl)-5-methylpiperazine-2-carboxamide
CID 112738250
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methylpiperazine-2-carboxamide
CID 63104541
N-(2-amino-2-oxoethyl)-5-methylpiperazine-2-carboxamide
CID 63102938
N-(5-methylhexan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908871
(2S)-N-(2,2,2-trifluoroethyl)aziridine-2-carboxamide
CID 97184752
4-hydroxy-N-(4-methoxy-4-methylpentan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119803231
5-methyl-N-[2-(trifluoromethyl)phenyl]piperazine-2-carboxamide
CID 63102747
methyl (2S,5S)-5-methylpiperazine-2-carboxylate
CID 124669231

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4,4,4-trifluorobutan-2-yl)piperazine-2-carboxamide?
The IUPAC name of 5-methyl-N-(4,4,4-trifluorobutan-2-yl)piperazine-2-carboxamide (CID 114130979) is 5-methyl-N-(4,4,4-trifluorobutan-2-yl)piperazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(4,4,4-trifluorobutan-2-yl)piperazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-(4,4,4-trifluorobutan-2-yl)piperazine-2-carboxamide is CC1CNC(C(=O)NC(C)CC(F)(F)F)CN1.
What is the InChIKey of 5-methyl-N-(4,4,4-trifluorobutan-2-yl)piperazine-2-carboxamide?
The InChIKey is RANKWNRCCJCVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-6(3-10(11,12)13)16-9(17)8-5-14-7(2)4-15-8/h6-8,14-15H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 5-methyl-N-(4,4,4-trifluorobutan-2-yl)piperazine-2-carboxamide?
5-methyl-N-(4,4,4-trifluorobutan-2-yl)piperazine-2-carboxamide has a molecular weight of 253.27 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4,4,4-trifluorobutan-2-yl)piperazine-2-carboxamide is sourced from PubChem (CID 114130979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).