N-(2,6-difluoro-3-methylphenyl)-5-methylpiperidine-3-carboxamide

C14H18F2N2O — CID 82818844

IUPACN-(2,6-difluoro-3-methylphenyl)-5-methylpiperidine-3-carboxamide
SMILESCc1ccc(F)c(NC(=O)C2CNCC(C)C2)c1F
InChIInChI=1S/C14H18F2N2O/c1-8-5-10(7-17-6-8)14(19)18-13-11(15)4-3-9(2)12(13)16/h3-4,8,10,17H,5-7H2,1-2H3,(H,18,19)
InChIKeyRUDOLCWOBDASCL-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.46
Rot. Bonds2

About N-(2,6-difluoro-3-methylphenyl)-5-methylpiperidine-3-carboxamide

N-(2,6-difluoro-3-methylphenyl)-5-methylpiperidine-3-carboxamide (PubChem CID 82818844) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is N-(2,6-difluoro-3-methylphenyl)-5-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-methylphenyl)-5-methylpiperidine-3-carboxamide
PubChem CID82818844
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-(2,6-difluoro-3-methylphenyl)-5-methylpiperidine-3-carboxamide
SMILESCc1ccc(F)c(NC(=O)C2CNCC(C)C2)c1F
InChIInChI=1S/C14H18F2N2O/c1-8-5-10(7-17-6-8)14(19)18-13-11(15)4-3-9(2)12(13)16/h3-4,8,10,17H,5-7H2,1-2H3,(H,18,19)
InChIKeyRUDOLCWOBDASCL-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide
CID 167988844
N-(2,6-difluoro-3-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 82819007
5-methyl-N-(1-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide
CID 114252220
N-(2,6-difluoro-3-methylphenyl)propanamide
CID 82820072
N-(2,6-difluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 82818995
N-(6-cyclohexyl-3-pyridinyl)-5-methylpiperidine-3-carboxamide
CID 167808044
5-[(2,6-difluoro-3-methylphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427428
3-(2,6-difluoro-3-methylanilino)-3-oxopropanoic acid
CID 82820377
N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 63005768
5-methyl-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide
CID 113327649
N-(2,6-difluoro-3-methylphenyl)-2-piperazin-1-ylpropanamide
CID 82820113
1-[(3S,5R)-5-methylpiperidin-3-yl]ethanone
CID 178194792

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-methylphenyl)-5-methylpiperidine-3-carboxamide?
The IUPAC name of N-(2,6-difluoro-3-methylphenyl)-5-methylpiperidine-3-carboxamide (CID 82818844) is N-(2,6-difluoro-3-methylphenyl)-5-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2,6-difluoro-3-methylphenyl)-5-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(2,6-difluoro-3-methylphenyl)-5-methylpiperidine-3-carboxamide is Cc1ccc(F)c(NC(=O)C2CNCC(C)C2)c1F.
What is the InChIKey of N-(2,6-difluoro-3-methylphenyl)-5-methylpiperidine-3-carboxamide?
The InChIKey is RUDOLCWOBDASCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-8-5-10(7-17-6-8)14(19)18-13-11(15)4-3-9(2)12(13)16/h3-4,8,10,17H,5-7H2,1-2H3,(H,18,19).
What are the key properties of N-(2,6-difluoro-3-methylphenyl)-5-methylpiperidine-3-carboxamide?
N-(2,6-difluoro-3-methylphenyl)-5-methylpiperidine-3-carboxamide has a molecular weight of 268.31 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-methylphenyl)-5-methylpiperidine-3-carboxamide is sourced from PubChem (CID 82818844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).