4-methyl-N-(3,4,5-trifluorophenyl)piperidine-4-carboxamide

C13H15F3N2O — CID 55177366

IUPAC4-methyl-N-(3,4,5-trifluorophenyl)piperidine-4-carboxamide
SMILESCC1(C(=O)Nc2cc(F)c(F)c(F)c2)CCNCC1
InChIInChI=1S/C13H15F3N2O/c1-13(2-4-17-5-3-13)12(19)18-8-6-9(14)11(16)10(15)7-8/h6-7,17H,2-5H2,1H3,(H,18,19)
InChIKeyYQDGDVHGFVNMPK-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.43
Rot. Bonds2

About 4-methyl-N-(3,4,5-trifluorophenyl)piperidine-4-carboxamide

4-methyl-N-(3,4,5-trifluorophenyl)piperidine-4-carboxamide (PubChem CID 55177366) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 4-methyl-N-(3,4,5-trifluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3,4,5-trifluorophenyl)piperidine-4-carboxamide
PubChem CID55177366
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name4-methyl-N-(3,4,5-trifluorophenyl)piperidine-4-carboxamide
SMILESCC1(C(=O)Nc2cc(F)c(F)c(F)c2)CCNCC1
InChIInChI=1S/C13H15F3N2O/c1-13(2-4-17-5-3-13)12(19)18-8-6-9(14)11(16)10(15)7-8/h6-7,17H,2-5H2,1H3,(H,18,19)
InChIKeyYQDGDVHGFVNMPK-UHFFFAOYSA-N
XLogP2.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-4-carboxamide
CID 115564450
3-(trifluoromethyl)-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 63719915
N-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 55165517
N-(2,6-difluorophenyl)-4-methylpiperidine-4-carboxamide
CID 55177937
4-methyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 63121506
N-(4-chloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
CID 63121680
N-(4-bromo-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
CID 63121522
4-methyl-N-thiophen-3-ylpiperidine-4-carboxamide
CID 66352171
4-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]piperidine-4-carboxamide
CID 63121646
4-methyl-N-[4-(methylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 63121716
5-[(3-methylpyrrolidine-3-carbonyl)amino]benzene-1,3-dicarboxamide
CID 63141530
N-[3-(4-fluorophenoxy)phenyl]-4-methylpiperidine-4-carboxamide
CID 67036908

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3,4,5-trifluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 4-methyl-N-(3,4,5-trifluorophenyl)piperidine-4-carboxamide (CID 55177366) is 4-methyl-N-(3,4,5-trifluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-methyl-N-(3,4,5-trifluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 4-methyl-N-(3,4,5-trifluorophenyl)piperidine-4-carboxamide is CC1(C(=O)Nc2cc(F)c(F)c(F)c2)CCNCC1.
What is the InChIKey of 4-methyl-N-(3,4,5-trifluorophenyl)piperidine-4-carboxamide?
The InChIKey is YQDGDVHGFVNMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-13(2-4-17-5-3-13)12(19)18-8-6-9(14)11(16)10(15)7-8/h6-7,17H,2-5H2,1H3,(H,18,19).
What are the key properties of 4-methyl-N-(3,4,5-trifluorophenyl)piperidine-4-carboxamide?
4-methyl-N-(3,4,5-trifluorophenyl)piperidine-4-carboxamide has a molecular weight of 272.27 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3,4,5-trifluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 55177366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).