2,2,2-trifluoro-N-[2-[4-(3-oxopropyl)piperazin-1-yl]ethyl]acetamide

C11H18F3N3O2 — CID 71411633

IUPAC2,2,2-trifluoro-N-[2-[4-(3-oxopropyl)piperazin-1-yl]ethyl]acetamide
SMILESO=CCCN1CCN(CCNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H18F3N3O2/c12-11(13,14)10(19)15-2-4-17-7-5-16(6-8-17)3-1-9-18/h9H,1-8H2,(H,15,19)
InChIKeyIGLHVEICHJNXNT-UHFFFAOYSA-N
MW281.28 g/mol
LogP-0.13
Rot. Bonds6

About 2,2,2-trifluoro-N-[2-[4-(3-oxopropyl)piperazin-1-yl]ethyl]acetamide

2,2,2-trifluoro-N-[2-[4-(3-oxopropyl)piperazin-1-yl]ethyl]acetamide (PubChem CID 71411633) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[4-(3-oxopropyl)piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[4-(3-oxopropyl)piperazin-1-yl]ethyl]acetamide
PubChem CID71411633
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC Name2,2,2-trifluoro-N-[2-[4-(3-oxopropyl)piperazin-1-yl]ethyl]acetamide
SMILESO=CCCN1CCN(CCNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H18F3N3O2/c12-11(13,14)10(19)15-2-4-17-7-5-16(6-8-17)3-1-9-18/h9H,1-8H2,(H,15,19)
InChIKeyIGLHVEICHJNXNT-UHFFFAOYSA-N
XLogP-0.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-[2-[4-(3-oxopropyl)piperazin-1-yl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[4-(3-oxopropyl)piperazin-1-yl]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[4-(3-oxopropyl)piperazin-1-yl]ethyl]acetamide (CID 71411633) is 2,2,2-trifluoro-N-[2-[4-(3-oxopropyl)piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[4-(3-oxopropyl)piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[4-(3-oxopropyl)piperazin-1-yl]ethyl]acetamide is O=CCCN1CCN(CCNC(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[4-(3-oxopropyl)piperazin-1-yl]ethyl]acetamide?
The InChIKey is IGLHVEICHJNXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c12-11(13,14)10(19)15-2-4-17-7-5-16(6-8-17)3-1-9-18/h9H,1-8H2,(H,15,19).
What are the key properties of 2,2,2-trifluoro-N-[2-[4-(3-oxopropyl)piperazin-1-yl]ethyl]acetamide?
2,2,2-trifluoro-N-[2-[4-(3-oxopropyl)piperazin-1-yl]ethyl]acetamide has a molecular weight of 281.28 g/mol, XLogP of -0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[4-(3-oxopropyl)piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 71411633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).