(2R)-2-[4-(2-ethoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide

C13H24F3N3O2 — CID 95334370

IUPAC(2R)-2-[4-(2-ethoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCOCCN1CCN([C@H](C)C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N3O2/c1-3-21-9-8-18-4-6-19(7-5-18)11(2)12(20)17-10-13(14,15)16/h11H,3-10H2,1-2H3,(H,17,20)/t11-/m1/s1
InChIKeyVFPCFBHBPLHMQV-LLVKDONJSA-N
MW311.35 g/mol
LogP0.71
Rot. Bonds7

About (2R)-2-[4-(2-ethoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide

(2R)-2-[4-(2-ethoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 95334370) has the molecular formula C13H24F3N3O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is (2R)-2-[4-(2-ethoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2-ethoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID95334370
Molecular FormulaC13H24F3N3O2
Molecular Weight311.35 g/mol
Exact Mass311.18
IUPAC Name(2R)-2-[4-(2-ethoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCOCCN1CCN([C@H](C)C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N3O2/c1-3-21-9-8-18-4-6-19(7-5-18)11(2)12(20)17-10-13(14,15)16/h11H,3-10H2,1-2H3,(H,17,20)/t11-/m1/s1
InChIKeyVFPCFBHBPLHMQV-LLVKDONJSA-N
XLogP0.71
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-ethoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2R)-2-[4-(2-ethoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide (CID 95334370) is (2R)-2-[4-(2-ethoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2R)-2-[4-(2-ethoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2R)-2-[4-(2-ethoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide is CCOCCN1CCN([C@H](C)C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of (2R)-2-[4-(2-ethoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is VFPCFBHBPLHMQV-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24F3N3O2/c1-3-21-9-8-18-4-6-19(7-5-18)11(2)12(20)17-10-13(14,15)16/h11H,3-10H2,1-2H3,(H,17,20)/t11-/m1/s1.
What are the key properties of (2R)-2-[4-(2-ethoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
(2R)-2-[4-(2-ethoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 311.35 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-ethoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 95334370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).