3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid

C26H39F3N4O4 — CID 146057538

IUPAC3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(C)cc(C(=O)N(CCCN2CCCCC2)CCC(=O)N2CCNCC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H38N4O2.C2HF3O2/c1-20-17-21(2)19-22(18-20)24(30)28(13-6-12-26-10-4-3-5-11-26)14-7-23(29)27-15-8-25-9-16-27;3-2(4,5)1(6)7/h17-19,25H,3-16H2,1-2H3;(H,6,7)
InChIKeyVJOCETJVKRAREF-UHFFFAOYSA-N
MW528.62 g/mol
LogP3.08
Rot. Bonds8

About 3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid

3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid (PubChem CID 146057538) has the molecular formula C26H39F3N4O4 and a molecular weight of 528.62 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid
PubChem CID146057538
Molecular FormulaC26H39F3N4O4
Molecular Weight528.62 g/mol
Exact Mass528.29
IUPAC Name3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(C)cc(C(=O)N(CCCN2CCCCC2)CCC(=O)N2CCNCC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H38N4O2.C2HF3O2/c1-20-17-21(2)19-22(18-20)24(30)28(13-6-12-26-10-4-3-5-11-26)14-7-23(29)27-15-8-25-9-16-27;3-2(4,5)1(6)7/h17-19,25H,3-16H2,1-2H3;(H,6,7)
InChIKeyVJOCETJVKRAREF-UHFFFAOYSA-N
XLogP3.08
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.62
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid 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

4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid
CID 146057558
3,4-difluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid
CID 146057537
4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-piperidin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146057582
3,4-difluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 50779637
3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide
CID 50779630
4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid
CID 146065491
3,4-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146056719
3,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779591
4-bromo-N-butyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid
CID 146057504
4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-propan-2-yloxypropyl)benzamide;2,2,2-trifluoroacetic acid
CID 146057484
4-cyano-N-(3-oxo-3-piperazin-1-ylpropyl)-N-pentylbenzamide;2,2,2-trifluoroacetic acid
CID 146071297
4-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146056747

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid (CID 146057538) is 3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid is Cc1cc(C)cc(C(=O)N(CCCN2CCCCC2)CCC(=O)N2CCNCC2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid?
The InChIKey is VJOCETJVKRAREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O2.C2HF3O2/c1-20-17-21(2)19-22(18-20)24(30)28(13-6-12-26-10-4-3-5-11-26)14-7-23(29)27-15-8-25-9-16-27;3-2(4,5)1(6)7/h17-19,25H,3-16H2,1-2H3;(H,6,7).
What are the key properties of 3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid?
3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid has a molecular weight of 528.62 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146057538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).