3-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide

C15H19F3N4O2 — CID 120810745

IUPAC3-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)c1
InChIInChI=1S/C15H19F3N4O2/c16-15(17,18)12(22-6-4-20-5-7-22)9-21-14(24)11-3-1-2-10(8-11)13(19)23/h1-3,8,12,20H,4-7,9H2,(H2,19,23)(H,21,24)
InChIKeyPNSUDODZSORWNI-UHFFFAOYSA-N
MW344.34 g/mol
LogP0.35
Rot. Bonds5

About 3-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide

3-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide (PubChem CID 120810745) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is 3-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide
PubChem CID120810745
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC Name3-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)c1
InChIInChI=1S/C15H19F3N4O2/c16-15(17,18)12(22-6-4-20-5-7-22)9-21-14(24)11-3-1-2-10(8-11)13(19)23/h1-3,8,12,20H,4-7,9H2,(H2,19,23)(H,21,24)
InChIKeyPNSUDODZSORWNI-UHFFFAOYSA-N
XLogP0.35
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(carbamoylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120813798
3-(sulfamoylmethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120811151
3-phenoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811762
3-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120812584
2-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyrrole-2,4-dicarboxamide;hydrochloride
CID 120812304
3-(2-methylpropoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120812115
3-(1,2,4-triazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 120813520
4-acetyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120812517
4-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811336
3-fluoro-4-sulfamoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120812787
6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide
CID 120812673
4-cyano-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120813148

Frequently Asked Questions

What is the IUPAC name of 3-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide (CID 120810745) is 3-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide is NC(=O)c1cccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)c1.
What is the InChIKey of 3-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide?
The InChIKey is PNSUDODZSORWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O2/c16-15(17,18)12(22-6-4-20-5-7-22)9-21-14(24)11-3-1-2-10(8-11)13(19)23/h1-3,8,12,20H,4-7,9H2,(H2,19,23)(H,21,24).
What are the key properties of 3-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide?
3-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide has a molecular weight of 344.34 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 120810745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).