2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide

C13H24F3N3O2 — CID 53533822

IUPAC2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)N(CC(F)(F)F)C(=O)CN1CCN(CC1)CCO
InChIInChI=1S/C13H24F3N3O2/c1-11(2)19(10-13(14,15)16)12(21)9-18-5-3-17(4-6-18)7-8-20/h11,20H,3-10H2,1-2H3
InChIKeyWSSBKUAPILDZQO-UHFFFAOYSA-N
MW311.34 g/mol
LogP0.80
Rot. Bonds6

About 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 53533822) has the molecular formula C13H24F3N3O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID53533822
Molecular FormulaC13H24F3N3O2
Molecular Weight311.34 g/mol
Exact Mass311.18
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)N(CC(F)(F)F)C(=O)CN1CCN(CC1)CCO
InChIInChI=1S/C13H24F3N3O2/c1-11(2)19(10-13(14,15)16)12(21)9-18-5-3-17(4-6-18)7-8-20/h11,20H,3-10H2,1-2H3
InChIKeyWSSBKUAPILDZQO-UHFFFAOYSA-N
XLogP0.80
TPSA47.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity329

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 53533822) is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide is CC(C)N(CC(F)(F)F)C(=O)CN1CCN(CC1)CCO.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is WSSBKUAPILDZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O2/c1-11(2)19(10-13(14,15)16)12(21)9-18-5-3-17(4-6-18)7-8-20/h11,20H,3-10H2,1-2H3.
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 311.34 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 53533822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).