N-(3-ethoxypropyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide

C13H24F3N3O2 — CID 60946901

IUPACN-(3-ethoxypropyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)CN1CCNCC1
InChIInChI=1S/C13H24F3N3O2/c1-2-21-9-3-6-19(11-13(14,15)16)12(20)10-18-7-4-17-5-8-18/h17H,2-11H2,1H3
InChIKeyBCQQIYIGMWXFDI-UHFFFAOYSA-N
MW311.35 g/mol
LogP0.71
Rot. Bonds8

About N-(3-ethoxypropyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide

N-(3-ethoxypropyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60946901) has the molecular formula C13H24F3N3O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60946901
Molecular FormulaC13H24F3N3O2
Molecular Weight311.35 g/mol
Exact Mass311.18
IUPAC NameN-(3-ethoxypropyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)CN1CCNCC1
InChIInChI=1S/C13H24F3N3O2/c1-2-21-9-3-6-19(11-13(14,15)16)12(20)10-18-7-4-17-5-8-18/h17H,2-11H2,1H3
InChIKeyBCQQIYIGMWXFDI-UHFFFAOYSA-N
XLogP0.71
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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 N-(3-ethoxypropyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 60946901) is N-(3-ethoxypropyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide is CCOCCCN(CC(F)(F)F)C(=O)CN1CCNCC1.
What is the InChIKey of N-(3-ethoxypropyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BCQQIYIGMWXFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O2/c1-2-21-9-3-6-19(11-13(14,15)16)12(20)10-18-7-4-17-5-8-18/h17H,2-11H2,1H3.
What are the key properties of N-(3-ethoxypropyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
N-(3-ethoxypropyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 311.35 g/mol, XLogP of 0.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60946901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).