3-methyl-N-(3-methylcyclobutyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

C13H22F3N3O — CID 84595272

IUPAC3-methyl-N-(3-methylcyclobutyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCC1CC(NC(=O)N2CCN(CC(F)(F)F)C(C)C2)C1
InChIInChI=1S/C13H22F3N3O/c1-9-5-11(6-9)17-12(20)18-3-4-19(10(2)7-18)8-13(14,15)16/h9-11H,3-8H2,1-2H3,(H,17,20)
InChIKeyCPRQCKDICWSKHQ-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.06
Rot. Bonds2

About 3-methyl-N-(3-methylcyclobutyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

3-methyl-N-(3-methylcyclobutyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (PubChem CID 84595272) has the molecular formula C13H22F3N3O and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-methyl-N-(3-methylcyclobutyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-methylcyclobutyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
PubChem CID84595272
Molecular FormulaC13H22F3N3O
Molecular Weight293.33 g/mol
Exact Mass293.17
IUPAC Name3-methyl-N-(3-methylcyclobutyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCC1CC(NC(=O)N2CCN(CC(F)(F)F)C(C)C2)C1
InChIInChI=1S/C13H22F3N3O/c1-9-5-11(6-9)17-12(20)18-3-4-19(10(2)7-18)8-13(14,15)16/h9-11H,3-8H2,1-2H3,(H,17,20)
InChIKeyCPRQCKDICWSKHQ-UHFFFAOYSA-N
XLogP2.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylcyclobutyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The IUPAC name of 3-methyl-N-(3-methylcyclobutyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (CID 84595272) is 3-methyl-N-(3-methylcyclobutyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-methylcyclobutyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The canonical SMILES for 3-methyl-N-(3-methylcyclobutyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is CC1CC(NC(=O)N2CCN(CC(F)(F)F)C(C)C2)C1.
What is the InChIKey of 3-methyl-N-(3-methylcyclobutyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The InChIKey is CPRQCKDICWSKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O/c1-9-5-11(6-9)17-12(20)18-3-4-19(10(2)7-18)8-13(14,15)16/h9-11H,3-8H2,1-2H3,(H,17,20).
What are the key properties of 3-methyl-N-(3-methylcyclobutyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
3-methyl-N-(3-methylcyclobutyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylcyclobutyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is sourced from PubChem (CID 84595272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).