2-prop-2-enoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide

C17H22F3N3O2 — CID 120813289

IUPAC2-prop-2-enoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
SMILESC=CCOc1ccccc1C(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C17H22F3N3O2/c1-2-11-25-14-6-4-3-5-13(14)16(24)22-12-15(17(18,19)20)23-9-7-21-8-10-23/h2-6,15,21H,1,7-12H2,(H,22,24)
InChIKeyHFNISIUVKURVEJ-UHFFFAOYSA-N
MW357.38 g/mol
LogP1.82
Rot. Bonds7

About 2-prop-2-enoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide

2-prop-2-enoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide (PubChem CID 120813289) has the molecular formula C17H22F3N3O2 and a molecular weight of 357.38 g/mol. Its IUPAC name is 2-prop-2-enoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-prop-2-enoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
PubChem CID120813289
Molecular FormulaC17H22F3N3O2
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC Name2-prop-2-enoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
SMILESC=CCOc1ccccc1C(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C17H22F3N3O2/c1-2-11-25-14-6-4-3-5-13(14)16(24)22-12-15(17(18,19)20)23-9-7-21-8-10-23/h2-6,15,21H,1,7-12H2,(H,22,24)
InChIKeyHFNISIUVKURVEJ-UHFFFAOYSA-N
XLogP1.82
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811350
2-cyclohexyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120812343
2-anilino-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120811339
2-(methanesulfonamido)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120813829
2-propan-2-ylsulfanyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120813410
4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyrrole-3-carboxamide
CID 120811961
2-(methanesulfonamido)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120813828
2-(2-ethoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120813841
N-(2-ethylbutyl)-2-prop-2-enoxybenzamide
CID 115612991
piperazin-1-yl-(2-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119403725
3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide
CID 120811361
2-bromo-5-fluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120810815

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 2-prop-2-enoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide (CID 120813289) is 2-prop-2-enoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 2-prop-2-enoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 2-prop-2-enoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide is C=CCOc1ccccc1C(=O)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 2-prop-2-enoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide?
The InChIKey is HFNISIUVKURVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O2/c1-2-11-25-14-6-4-3-5-13(14)16(24)22-12-15(17(18,19)20)23-9-7-21-8-10-23/h2-6,15,21H,1,7-12H2,(H,22,24).
What are the key properties of 2-prop-2-enoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide?
2-prop-2-enoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide has a molecular weight of 357.38 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 120813289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).