N-cyclopropyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide

C13H22F3N3O — CID 84598300

IUPACN-cyclopropyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
SMILESCC1(C)CN(CC(F)(F)F)CCN1CC(=O)NC1CC1
InChIInChI=1S/C13H22F3N3O/c1-12(2)8-18(9-13(14,15)16)5-6-19(12)7-11(20)17-10-3-4-10/h10H,3-9H2,1-2H3,(H,17,20)
InChIKeyCMFOWVVWOMKGLA-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.22
Rot. Bonds4

About N-cyclopropyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide

N-cyclopropyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide (PubChem CID 84598300) has the molecular formula C13H22F3N3O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-cyclopropyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
PubChem CID84598300
Molecular FormulaC13H22F3N3O
Molecular Weight293.33 g/mol
Exact Mass293.17
IUPAC NameN-cyclopropyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
SMILESCC1(C)CN(CC(F)(F)F)CCN1CC(=O)NC1CC1
InChIInChI=1S/C13H22F3N3O/c1-12(2)8-18(9-13(14,15)16)5-6-19(12)7-11(20)17-10-3-4-10/h10H,3-9H2,1-2H3,(H,17,20)
InChIKeyCMFOWVVWOMKGLA-UHFFFAOYSA-N
XLogP1.22
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide (CID 84598300) is N-cyclopropyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide is CC1(C)CN(CC(F)(F)F)CCN1CC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The InChIKey is CMFOWVVWOMKGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O/c1-12(2)8-18(9-13(14,15)16)5-6-19(12)7-11(20)17-10-3-4-10/h10H,3-9H2,1-2H3,(H,17,20).
What are the key properties of N-cyclopropyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
N-cyclopropyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide has a molecular weight of 293.33 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 84598300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).