3,5-dimethyl-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide

C14H17F3N2O — CID 108892509

IUPAC3,5-dimethyl-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide
SMILESCC1CC(C)CN(C(=O)Nc2ccc(F)c(F)c2F)C1
InChIInChI=1S/C14H17F3N2O/c1-8-5-9(2)7-19(6-8)14(20)18-11-4-3-10(15)12(16)13(11)17/h3-4,8-9H,5-7H2,1-2H3,(H,18,20)
InChIKeyOMFHLZPEOOZPTR-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.61
Rot. Bonds1

About 3,5-dimethyl-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide

3,5-dimethyl-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide (PubChem CID 108892509) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide
PubChem CID108892509
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name3,5-dimethyl-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide
SMILESCC1CC(C)CN(C(=O)Nc2ccc(F)c(F)c2F)C1
InChIInChI=1S/C14H17F3N2O/c1-8-5-9(2)7-19(6-8)14(20)18-11-4-3-10(15)12(16)13(11)17/h3-4,8-9H,5-7H2,1-2H3,(H,18,20)
InChIKeyOMFHLZPEOOZPTR-UHFFFAOYSA-N
XLogP3.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3,4-trifluorophenyl)azepane-1-carboxamide
CID 47193814
3-(hydroxymethyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-1-carboxamide
CID 111442897
3-amino-N-(2-fluorophenyl)-5-methylpiperidine-1-carboxamide
CID 79994443
1-[(4-bromo-2-fluoro-3-methylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103007
(3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 40638803
(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 26495308
(3S,5S)-N-(4-bromo-2-methylphenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 51945173
1-[(2-fluoro-4-methoxycarbonylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102337
(3R,5R)-N-[4-fluoro-2-(methylsulfonylmethyl)phenyl]-3,5-dimethylpiperidine-1-carboxamide
CID 97225829
4-[3-hydroxypropyl(methyl)amino]-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide
CID 111446778
(3S,5R)-N-[3-[[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylphenyl]-3,5-dimethylpiperidine-1-carboxamide
CID 27806673
N-(4-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 17250026

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide (CID 108892509) is 3,5-dimethyl-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide is CC1CC(C)CN(C(=O)Nc2ccc(F)c(F)c2F)C1.
What is the InChIKey of 3,5-dimethyl-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide?
The InChIKey is OMFHLZPEOOZPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-8-5-9(2)7-19(6-8)14(20)18-11-4-3-10(15)12(16)13(11)17/h3-4,8-9H,5-7H2,1-2H3,(H,18,20).
What are the key properties of 3,5-dimethyl-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide?
3,5-dimethyl-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide has a molecular weight of 286.30 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 108892509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).