3-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide

C15H17F4N3O2 — CID 70731830

IUPAC3-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCCC(C(=O)NCc2ccc(C(F)(F)F)cc2F)C1
InChIInChI=1S/C15H17F4N3O2/c16-12-6-11(15(17,18)19)4-3-9(12)7-21-13(23)10-2-1-5-22(8-10)14(20)24/h3-4,6,10H,1-2,5,7-8H2,(H2,20,24)(H,21,23)
InChIKeyXLXLWKUYMLELMG-UHFFFAOYSA-N
MW347.31 g/mol
LogP2.25
Rot. Bonds3

About 3-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide

3-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide (PubChem CID 70731830) has the molecular formula C15H17F4N3O2 and a molecular weight of 347.31 g/mol. Its IUPAC name is 3-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide
PubChem CID70731830
Molecular FormulaC15H17F4N3O2
Molecular Weight347.31 g/mol
Exact Mass347.13
IUPAC Name3-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCCC(C(=O)NCc2ccc(C(F)(F)F)cc2F)C1
InChIInChI=1S/C15H17F4N3O2/c16-12-6-11(15(17,18)19)4-3-9(12)7-21-13(23)10-2-1-5-22(8-10)14(20)24/h3-4,6,10H,1-2,5,7-8H2,(H2,20,24)(H,21,23)
InChIKeyXLXLWKUYMLELMG-UHFFFAOYSA-N
XLogP2.25
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(3R)-3-N-[(2-chloro-4-fluorophenyl)methyl]piperidine-1,3-dicarboxamide
CID 97116009
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 143615163
(3S)-3-N-benzylpiperidine-1,3-dicarboxamide
CID 9070998
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxyazetidine-1-carboxamide
CID 119072217
1-[7-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-2-carbonyl]piperidine-3-carboxamide
CID 175974847
(3S)-3-N-[2-(3,4-difluorophenoxy)ethyl]piperidine-1,3-dicarboxamide
CID 95614768
1-butanoyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 60527795
N-(2-aminoethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 120837271
3-N-[(2-fluorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42959130
N-(2-aminoethyl)-1-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperidine-3-carboxamide;hydrochloride
CID 119481359
N-(2-aminoethyl)-1-[2-[3-(trifluoromethyl)phenoxy]acetyl]piperidine-3-carboxamide;hydrochloride
CID 119480106
N-[(4-carbamothioyl-2-fluorophenyl)methyl]cyclopentanecarboxamide
CID 63359331

Frequently Asked Questions

What is the IUPAC name of 3-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide (CID 70731830) is 3-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide is NC(=O)N1CCCC(C(=O)NCc2ccc(C(F)(F)F)cc2F)C1.
What is the InChIKey of 3-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide?
The InChIKey is XLXLWKUYMLELMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F4N3O2/c16-12-6-11(15(17,18)19)4-3-9(12)7-21-13(23)10-2-1-5-22(8-10)14(20)24/h3-4,6,10H,1-2,5,7-8H2,(H2,20,24)(H,21,23).
What are the key properties of 3-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide?
3-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide has a molecular weight of 347.31 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 70731830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).