N-(2,4-difluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C16H17F2N3OS — CID 47080331

IUPACN-(2,4-difluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1csc(N2CCC(C(=O)Nc3ccc(F)cc3F)CC2)n1
InChIInChI=1S/C16H17F2N3OS/c1-10-9-23-16(19-10)21-6-4-11(5-7-21)15(22)20-14-3-2-12(17)8-13(14)18/h2-3,8-9,11H,4-7H2,1H3,(H,20,22)
InChIKeyMDXMGKUAAUQRIY-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.58
Rot. Bonds3

About N-(2,4-difluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

N-(2,4-difluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 47080331) has the molecular formula C16H17F2N3OS and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID47080331
Molecular FormulaC16H17F2N3OS
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-(2,4-difluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1csc(N2CCC(C(=O)Nc3ccc(F)cc3F)CC2)n1
InChIInChI=1S/C16H17F2N3OS/c1-10-9-23-16(19-10)21-6-4-11(5-7-21)15(22)20-14-3-2-12(17)8-13(14)18/h2-3,8-9,11H,4-7H2,1H3,(H,20,22)
InChIKeyMDXMGKUAAUQRIY-UHFFFAOYSA-N
XLogP3.58
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
N-(2,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31783205
3-(2,4-difluorophenyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]prop-2-ynamide
CID 23649261
N-(2,4-difluorophenyl)-4-(methylamino)cyclohexane-1-carboxamide
CID 115150615
N-(2,4-difluorophenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222644
N-(2,4-difluorophenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392060
1-(1H-benzimidazol-2-yl)-N-(2,4-difluorophenyl)piperidine-4-carboxamide
CID 122176153
N-(2,4-difluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90519984
tert-butyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 9209463
N-(2,4-difluorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 1211082
N-(2,4-difluorophenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113008428
N-[2-(methylamino)propyl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 120828239

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 47080331) is N-(2,4-difluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is Cc1csc(N2CCC(C(=O)Nc3ccc(F)cc3F)CC2)n1.
What is the InChIKey of N-(2,4-difluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is MDXMGKUAAUQRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3OS/c1-10-9-23-16(19-10)21-6-4-11(5-7-21)15(22)20-14-3-2-12(17)8-13(14)18/h2-3,8-9,11H,4-7H2,1H3,(H,20,22).
What are the key properties of N-(2,4-difluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
N-(2,4-difluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 47080331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).