4-acetyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide

C16H20F3N3O2 — CID 120812517

IUPAC4-acetyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
SMILESCC(=O)c1ccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)cc1
InChIInChI=1S/C16H20F3N3O2/c1-11(23)12-2-4-13(5-3-12)15(24)21-10-14(16(17,18)19)22-8-6-20-7-9-22/h2-5,14,20H,6-10H2,1H3,(H,21,24)
InChIKeyJOTSDLIMEKVRNX-UHFFFAOYSA-N
MW343.35 g/mol
LogP1.46
Rot. Bonds5

About 4-acetyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide

4-acetyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide (PubChem CID 120812517) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 4-acetyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-acetyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
PubChem CID120812517
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Name4-acetyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
SMILESCC(=O)c1ccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)cc1
InChIInChI=1S/C16H20F3N3O2/c1-11(23)12-2-4-13(5-3-12)15(24)21-10-14(16(17,18)19)22-8-6-20-7-9-22/h2-5,14,20H,6-10H2,1H3,(H,21,24)
InChIKeyJOTSDLIMEKVRNX-UHFFFAOYSA-N
XLogP1.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811336
2-(4-acetylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812420
4-propanoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120812332
4-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120810936
4-(trifluoromethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120811723
4-cyano-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120813148
4-nitro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120813479
4-(propan-2-yloxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120810855
1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 120811165
4-(difluoromethylsulfanyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120812560
6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide
CID 120812673
1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-2-carboxamide
CID 120811321

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 4-acetyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide (CID 120812517) is 4-acetyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-acetyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 4-acetyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide is CC(=O)c1ccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)cc1.
What is the InChIKey of 4-acetyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide?
The InChIKey is JOTSDLIMEKVRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-11(23)12-2-4-13(5-3-12)15(24)21-10-14(16(17,18)19)22-8-6-20-7-9-22/h2-5,14,20H,6-10H2,1H3,(H,21,24).
What are the key properties of 4-acetyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide?
4-acetyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide has a molecular weight of 343.35 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 120812517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).