N-piperidin-3-yl-2-prop-2-enoxy-5-(trifluoromethyl)benzamide;hydrochloride

C16H20ClF3N2O2 — CID 119426047

IUPACN-piperidin-3-yl-2-prop-2-enoxy-5-(trifluoromethyl)benzamide;hydrochloride
SMILESC=CCOc1ccc(C(F)(F)F)cc1C(=O)NC1CCCNC1.Cl
InChIInChI=1S/C16H19F3N2O2.ClH/c1-2-8-23-14-6-5-11(16(17,18)19)9-13(14)15(22)21-12-4-3-7-20-10-12;/h2,5-6,9,12,20H,1,3-4,7-8,10H2,(H,21,22);1H
InChIKeyJWFOPEHPIGPTST-UHFFFAOYSA-N
MW364.80 g/mol
LogP3.17
Rot. Bonds5

About N-piperidin-3-yl-2-prop-2-enoxy-5-(trifluoromethyl)benzamide;hydrochloride

N-piperidin-3-yl-2-prop-2-enoxy-5-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 119426047) has the molecular formula C16H20ClF3N2O2 and a molecular weight of 364.80 g/mol. Its IUPAC name is N-piperidin-3-yl-2-prop-2-enoxy-5-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-3-yl-2-prop-2-enoxy-5-(trifluoromethyl)benzamide;hydrochloride
PubChem CID119426047
Molecular FormulaC16H20ClF3N2O2
Molecular Weight364.80 g/mol
Exact Mass364.12
IUPAC NameN-piperidin-3-yl-2-prop-2-enoxy-5-(trifluoromethyl)benzamide;hydrochloride
SMILESC=CCOc1ccc(C(F)(F)F)cc1C(=O)NC1CCCNC1.Cl
InChIInChI=1S/C16H19F3N2O2.ClH/c1-2-8-23-14-6-5-11(16(17,18)19)9-13(14)15(22)21-12-4-3-7-20-10-12;/h2,5-6,9,12,20H,1,3-4,7-8,10H2,(H,21,22);1H
InChIKeyJWFOPEHPIGPTST-UHFFFAOYSA-N
XLogP3.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpiperidin-3-yl)-2-prop-2-enoxy-5-(trifluoromethyl)benzamide
CID 120577557
2-bromo-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)benzamide
CID 104645323
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-prop-2-enoxy-5-(trifluoromethyl)benzamide;hydrochloride
CID 120944773
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-prop-2-enoxy-5-(trifluoromethyl)benzamide
CID 120944774
2-nitro-N-piperidin-3-yl-4-(trifluoromethyl)benzamide;hydrochloride
CID 119428141
(3-piperazin-1-ylpyrrolidin-1-yl)-[2-prop-2-enoxy-5-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 120996706
N-piperidin-4-yl-2-prop-2-enoxybenzamide
CID 119390242
5-chloro-N-piperidin-3-yl-2-propoxybenzamide;hydrochloride
CID 119424718
N-piperidin-3-yl-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119425494
2-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)benzamide
CID 67303342
(2S)-2-[[2-prop-2-enoxy-5-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 119237973
2,4,5-trimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426612

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-2-prop-2-enoxy-5-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of N-piperidin-3-yl-2-prop-2-enoxy-5-(trifluoromethyl)benzamide;hydrochloride (CID 119426047) is N-piperidin-3-yl-2-prop-2-enoxy-5-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for N-piperidin-3-yl-2-prop-2-enoxy-5-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for N-piperidin-3-yl-2-prop-2-enoxy-5-(trifluoromethyl)benzamide;hydrochloride is C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC1CCCNC1.Cl.
What is the InChIKey of N-piperidin-3-yl-2-prop-2-enoxy-5-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is JWFOPEHPIGPTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O2.ClH/c1-2-8-23-14-6-5-11(16(17,18)19)9-13(14)15(22)21-12-4-3-7-20-10-12;/h2,5-6,9,12,20H,1,3-4,7-8,10H2,(H,21,22);1H.
What are the key properties of N-piperidin-3-yl-2-prop-2-enoxy-5-(trifluoromethyl)benzamide;hydrochloride?
N-piperidin-3-yl-2-prop-2-enoxy-5-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 364.80 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-2-prop-2-enoxy-5-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 119426047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).