4-(3-fluoroanilino)-N-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide

C17H21FN4OS — CID 155873313

IUPAC4-(3-fluoroanilino)-N-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
SMILESCNC(=O)C1(Nc2cccc(F)c2)CCN(Cc2nccs2)CC1
InChIInChI=1S/C17H21FN4OS/c1-19-16(23)17(21-14-4-2-3-13(18)11-14)5-8-22(9-6-17)12-15-20-7-10-24-15/h2-4,7,10-11,21H,5-6,8-9,12H2,1H3,(H,19,23)
InChIKeyIWYKNVJPGGVMKZ-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.47
Rot. Bonds5

About 4-(3-fluoroanilino)-N-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide

4-(3-fluoroanilino)-N-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 155873313) has the molecular formula C17H21FN4OS and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-(3-fluoroanilino)-N-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(3-fluoroanilino)-N-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
PubChem CID155873313
Molecular FormulaC17H21FN4OS
Molecular Weight348.45 g/mol
Exact Mass348.14
IUPAC Name4-(3-fluoroanilino)-N-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
SMILESCNC(=O)C1(Nc2cccc(F)c2)CCN(Cc2nccs2)CC1
InChIInChI=1S/C17H21FN4OS/c1-19-16(23)17(21-14-4-2-3-13(18)11-14)5-8-22(9-6-17)12-15-20-7-10-24-15/h2-4,7,10-11,21H,5-6,8-9,12H2,1H3,(H,19,23)
InChIKeyIWYKNVJPGGVMKZ-UHFFFAOYSA-N
XLogP2.47
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-fluoroanilino)-N-methyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 155874149
4-(3-fluoroanilino)-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 155871466
4-(3-fluoroanilino)-N-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 155871260
4-(3-fluoroanilino)-N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide
CID 155872147
1-(cyclopentylmethyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide
CID 155879288
3-(3-fluoroanilino)-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 155875888
4-(3-fluoroanilino)-N-methyl-1-(3-methylsulfonylpropanoyl)piperidine-4-carboxamide
CID 155871376
4-(3-fluoroanilino)-N-propan-2-yl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 155878721
1-(cyclopropanecarbonyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide
CID 155872854
1-[(4-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide
CID 155879440
3-(3-fluoroanilino)-N-methyl-1-[(E)-3-thiophen-2-ylprop-2-enoyl]pyrrolidine-3-carboxamide
CID 155872984
3-(3-fluoroanilino)-N-methyl-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide
CID 155873216

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroanilino)-N-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 4-(3-fluoroanilino)-N-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide (CID 155873313) is 4-(3-fluoroanilino)-N-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-(3-fluoroanilino)-N-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 4-(3-fluoroanilino)-N-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide is CNC(=O)C1(Nc2cccc(F)c2)CCN(Cc2nccs2)CC1.
What is the InChIKey of 4-(3-fluoroanilino)-N-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is IWYKNVJPGGVMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4OS/c1-19-16(23)17(21-14-4-2-3-13(18)11-14)5-8-22(9-6-17)12-15-20-7-10-24-15/h2-4,7,10-11,21H,5-6,8-9,12H2,1H3,(H,19,23).
What are the key properties of 4-(3-fluoroanilino)-N-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide?
4-(3-fluoroanilino)-N-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoroanilino)-N-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 155873313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).