N-[3-[2,3-dioxo-4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]piperazin-1-yl]propyl]-2,2,2-trifluoroacetamide

C14H18F6N4O4 — CID 176893513

IUPACN-[3-[2,3-dioxo-4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]piperazin-1-yl]propyl]-2,2,2-trifluoroacetamide
SMILESO=C1C(=O)N(CCCNC(=O)C(F)(F)F)CCN1CCCNC(=O)C(F)(F)F
InChIInChI=1S/C14H18F6N4O4/c15-13(16,17)11(27)21-3-1-5-23-7-8-24(10(26)9(23)25)6-2-4-22-12(28)14(18,19)20/h1-8H2,(H,21,27)(H,22,28)
InChIKeyPVMFYZWMQFTCKD-UHFFFAOYSA-N
MW420.31 g/mol
LogP-0.21
Rot. Bonds8

About N-[3-[2,3-dioxo-4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]piperazin-1-yl]propyl]-2,2,2-trifluoroacetamide

N-[3-[2,3-dioxo-4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]piperazin-1-yl]propyl]-2,2,2-trifluoroacetamide (PubChem CID 176893513) has the molecular formula C14H18F6N4O4 and a molecular weight of 420.31 g/mol. Its IUPAC name is N-[3-[2,3-dioxo-4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]piperazin-1-yl]propyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-[2,3-dioxo-4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]piperazin-1-yl]propyl]-2,2,2-trifluoroacetamide
PubChem CID176893513
Molecular FormulaC14H18F6N4O4
Molecular Weight420.31 g/mol
Exact Mass420.12
IUPAC NameN-[3-[2,3-dioxo-4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]piperazin-1-yl]propyl]-2,2,2-trifluoroacetamide
SMILESO=C1C(=O)N(CCCNC(=O)C(F)(F)F)CCN1CCCNC(=O)C(F)(F)F
InChIInChI=1S/C14H18F6N4O4/c15-13(16,17)11(27)21-3-1-5-23-7-8-24(10(26)9(23)25)6-2-4-22-12(28)14(18,19)20/h1-8H2,(H,21,27)(H,22,28)
InChIKeyPVMFYZWMQFTCKD-UHFFFAOYSA-N
XLogP-0.21
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.31
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[2,3-dioxo-4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]piperazin-1-yl]propyl]-2,2,2-trifluoroacetamide 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 N-[3-[2,3-dioxo-4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]piperazin-1-yl]propyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-[2,3-dioxo-4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]piperazin-1-yl]propyl]-2,2,2-trifluoroacetamide (CID 176893513) is N-[3-[2,3-dioxo-4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]piperazin-1-yl]propyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-[2,3-dioxo-4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]piperazin-1-yl]propyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-[2,3-dioxo-4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]piperazin-1-yl]propyl]-2,2,2-trifluoroacetamide is O=C1C(=O)N(CCCNC(=O)C(F)(F)F)CCN1CCCNC(=O)C(F)(F)F.
What is the InChIKey of N-[3-[2,3-dioxo-4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]piperazin-1-yl]propyl]-2,2,2-trifluoroacetamide?
The InChIKey is PVMFYZWMQFTCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F6N4O4/c15-13(16,17)11(27)21-3-1-5-23-7-8-24(10(26)9(23)25)6-2-4-22-12(28)14(18,19)20/h1-8H2,(H,21,27)(H,22,28).
What are the key properties of N-[3-[2,3-dioxo-4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]piperazin-1-yl]propyl]-2,2,2-trifluoroacetamide?
N-[3-[2,3-dioxo-4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]piperazin-1-yl]propyl]-2,2,2-trifluoroacetamide has a molecular weight of 420.31 g/mol, XLogP of -0.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2,3-dioxo-4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]piperazin-1-yl]propyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 176893513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).