N-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;prop-1-ene

C17H23F3N2O — CID 142009385

IUPACN-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;prop-1-ene
SMILESC=CC.CN1CCC(NC(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C14H17F3N2O.C3H6/c1-19-8-6-10(7-9-19)18-13(20)11-4-2-3-5-12(11)14(15,16)17;1-3-2/h2-5,10H,6-9H2,1H3,(H,18,20);3H,1H2,2H3
InChIKeyOYLKYNJHBPFRHW-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.72
Rot. Bonds2

About N-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;prop-1-ene

N-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;prop-1-ene (PubChem CID 142009385) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;prop-1-ene.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;prop-1-ene
PubChem CID142009385
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC NameN-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;prop-1-ene
SMILESC=CC.CN1CCC(NC(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C14H17F3N2O.C3H6/c1-19-8-6-10(7-9-19)18-13(20)11-4-2-3-5-12(11)14(15,16)17;1-3-2/h2-5,10H,6-9H2,1H3,(H,18,20);3H,1H2,2H3
InChIKeyOYLKYNJHBPFRHW-UHFFFAOYSA-N
XLogP3.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;prop-1-ene?
The IUPAC name of N-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;prop-1-ene (CID 142009385) is N-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;prop-1-ene.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;prop-1-ene?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;prop-1-ene is C=CC.CN1CCC(NC(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;prop-1-ene?
The InChIKey is OYLKYNJHBPFRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O.C3H6/c1-19-8-6-10(7-9-19)18-13(20)11-4-2-3-5-12(11)14(15,16)17;1-3-2/h2-5,10H,6-9H2,1H3,(H,18,20);3H,1H2,2H3.
What are the key properties of N-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;prop-1-ene?
N-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;prop-1-ene has a molecular weight of 328.38 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;prop-1-ene is sourced from PubChem (CID 142009385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).