N-(2-methylpiperidin-3-yl)-2-prop-2-enoxy-5-(trifluoromethyl)benzamide

C17H21F3N2O2 — CID 120577557

IUPACN-(2-methylpiperidin-3-yl)-2-prop-2-enoxy-5-(trifluoromethyl)benzamide
SMILESC=CCOc1ccc(C(F)(F)F)cc1C(=O)NC1CCCNC1C
InChIInChI=1S/C17H21F3N2O2/c1-3-9-24-15-7-6-12(17(18,19)20)10-13(15)16(23)22-14-5-4-8-21-11(14)2/h3,6-7,10-11,14,21H,1,4-5,8-9H2,2H3,(H,22,23)
InChIKeyFBEFGYBYEPGKCD-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.14
Rot. Bonds5

About N-(2-methylpiperidin-3-yl)-2-prop-2-enoxy-5-(trifluoromethyl)benzamide

N-(2-methylpiperidin-3-yl)-2-prop-2-enoxy-5-(trifluoromethyl)benzamide (PubChem CID 120577557) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-2-prop-2-enoxy-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-2-prop-2-enoxy-5-(trifluoromethyl)benzamide
PubChem CID120577557
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC NameN-(2-methylpiperidin-3-yl)-2-prop-2-enoxy-5-(trifluoromethyl)benzamide
SMILESC=CCOc1ccc(C(F)(F)F)cc1C(=O)NC1CCCNC1C
InChIInChI=1S/C17H21F3N2O2/c1-3-9-24-15-7-6-12(17(18,19)20)10-13(15)16(23)22-14-5-4-8-21-11(14)2/h3,6-7,10-11,14,21H,1,4-5,8-9H2,2H3,(H,22,23)
InChIKeyFBEFGYBYEPGKCD-UHFFFAOYSA-N
XLogP3.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.14
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-piperidin-3-yl-2-prop-2-enoxy-5-(trifluoromethyl)benzamide;hydrochloride
CID 119426047
3-methoxy-N-(2-methylpiperidin-3-yl)-4-prop-2-enoxybenzamide;hydrochloride
CID 120574220
N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzamide
CID 79041877
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-prop-2-enoxy-5-(trifluoromethyl)benzamide
CID 120944774
(2S)-2-[[2-prop-2-enoxy-5-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 119237973
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-prop-2-enoxy-5-(trifluoromethyl)benzamide;hydrochloride
CID 120944773
N-(2-methylpiperidin-3-yl)-2-prop-2-enoxyacetamide;hydrochloride
CID 120575305
2-(2-amino-2-oxoethoxy)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120577789
[3-(methylaminomethyl)piperidin-1-yl]-[2-prop-2-enoxy-5-(trifluoromethyl)phenyl]methanone
CID 119396320
2-[2-(dimethylamino)ethoxy]-N-(2-methylpiperidin-3-yl)benzamide
CID 120576854
2-methyl-N-(2-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 120575190
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-2-prop-2-enoxy-5-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-methylpiperidin-3-yl)-2-prop-2-enoxy-5-(trifluoromethyl)benzamide (CID 120577557) is N-(2-methylpiperidin-3-yl)-2-prop-2-enoxy-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-2-prop-2-enoxy-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-2-prop-2-enoxy-5-(trifluoromethyl)benzamide is C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC1CCCNC1C.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-2-prop-2-enoxy-5-(trifluoromethyl)benzamide?
The InChIKey is FBEFGYBYEPGKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c1-3-9-24-15-7-6-12(17(18,19)20)10-13(15)16(23)22-14-5-4-8-21-11(14)2/h3,6-7,10-11,14,21H,1,4-5,8-9H2,2H3,(H,22,23).
What are the key properties of N-(2-methylpiperidin-3-yl)-2-prop-2-enoxy-5-(trifluoromethyl)benzamide?
N-(2-methylpiperidin-3-yl)-2-prop-2-enoxy-5-(trifluoromethyl)benzamide has a molecular weight of 342.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-2-prop-2-enoxy-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 120577557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).