4-(3-fluoroanilino)-N-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide

C21H26FN3O — CID 155871260

IUPAC4-(3-fluoroanilino)-N-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCNC(=O)C1(Nc2cccc(F)c2)CCN(Cc2ccccc2C)CC1
InChIInChI=1S/C21H26FN3O/c1-16-6-3-4-7-17(16)15-25-12-10-21(11-13-25,20(26)23-2)24-19-9-5-8-18(22)14-19/h3-9,14,24H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyVOXYFLKAUFFGAK-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.33
Rot. Bonds5

About 4-(3-fluoroanilino)-N-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide

4-(3-fluoroanilino)-N-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 155871260) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-(3-fluoroanilino)-N-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(3-fluoroanilino)-N-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID155871260
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name4-(3-fluoroanilino)-N-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCNC(=O)C1(Nc2cccc(F)c2)CCN(Cc2ccccc2C)CC1
InChIInChI=1S/C21H26FN3O/c1-16-6-3-4-7-17(16)15-25-12-10-21(11-13-25,20(26)23-2)24-19-9-5-8-18(22)14-19/h3-9,14,24H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyVOXYFLKAUFFGAK-UHFFFAOYSA-N
XLogP3.33
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 155873984
4-(3-fluoroanilino)-N-methyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 155874149
4-(3-fluoroanilino)-N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide
CID 155872147
4-(3-fluoroanilino)-N-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 155873313
4-(3-fluoroanilino)-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 155871466
1-[(2-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide
CID 155880014
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
1-(cyclopropanecarbonyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide
CID 155872854
1-[(4-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide
CID 155879440
4-(3-fluoroanilino)-N-methyl-1-(3-methylsulfonylpropanoyl)piperidine-4-carboxamide
CID 155871376
N-(4-ethylphenyl)-4-(methylamino)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 123439890

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroanilino)-N-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 4-(3-fluoroanilino)-N-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide (CID 155871260) is 4-(3-fluoroanilino)-N-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(3-fluoroanilino)-N-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(3-fluoroanilino)-N-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide is CNC(=O)C1(Nc2cccc(F)c2)CCN(Cc2ccccc2C)CC1.
What is the InChIKey of 4-(3-fluoroanilino)-N-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is VOXYFLKAUFFGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-16-6-3-4-7-17(16)15-25-12-10-21(11-13-25,20(26)23-2)24-19-9-5-8-18(22)14-19/h3-9,14,24H,10-13,15H2,1-2H3,(H,23,26).
What are the key properties of 4-(3-fluoroanilino)-N-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
4-(3-fluoroanilino)-N-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoroanilino)-N-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 155871260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).