3-methyl-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]piperidine-1-carboxamide

C15H17F3N2O3 — CID 4617710

IUPAC3-methyl-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]piperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NC2(C(F)(F)F)Oc3ccccc3O2)C1
InChIInChI=1S/C15H17F3N2O3/c1-10-5-4-8-20(9-10)13(21)19-15(14(16,17)18)22-11-6-2-3-7-12(11)23-15/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,19,21)
InChIKeyOBEKWVYIDCJYTN-UHFFFAOYSA-N
MW330.31 g/mol
LogP3.12
Rot. Bonds1

About 3-methyl-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]piperidine-1-carboxamide

3-methyl-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]piperidine-1-carboxamide (PubChem CID 4617710) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is 3-methyl-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]piperidine-1-carboxamide
PubChem CID4617710
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC Name3-methyl-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]piperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NC2(C(F)(F)F)Oc3ccccc3O2)C1
InChIInChI=1S/C15H17F3N2O3/c1-10-5-4-8-20(9-10)13(21)19-15(14(16,17)18)22-11-6-2-3-7-12(11)23-15/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,19,21)
InChIKeyOBEKWVYIDCJYTN-UHFFFAOYSA-N
XLogP3.12
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]piperidine-1-carboxamide?
The IUPAC name of 3-methyl-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]piperidine-1-carboxamide (CID 4617710) is 3-methyl-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]piperidine-1-carboxamide is CC1CCCN(C(=O)NC2(C(F)(F)F)Oc3ccccc3O2)C1.
What is the InChIKey of 3-methyl-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]piperidine-1-carboxamide?
The InChIKey is OBEKWVYIDCJYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O3/c1-10-5-4-8-20(9-10)13(21)19-15(14(16,17)18)22-11-6-2-3-7-12(11)23-15/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,19,21).
What are the key properties of 3-methyl-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]piperidine-1-carboxamide?
3-methyl-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]piperidine-1-carboxamide has a molecular weight of 330.31 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 4617710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).