4-anilino-1-[(2-fluorophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide

C21H26FN3O — CID 155879946

IUPAC4-anilino-1-[(2-fluorophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1(Nc2ccccc2)CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C21H26FN3O/c1-24(2)20(26)21(23-18-9-4-3-5-10-18)12-14-25(15-13-21)16-17-8-6-7-11-19(17)22/h3-11,23H,12-16H2,1-2H3
InChIKeyOAHLRGJPHPQQCU-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.36
Rot. Bonds5

About 4-anilino-1-[(2-fluorophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide

4-anilino-1-[(2-fluorophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 155879946) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-anilino-1-[(2-fluorophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-anilino-1-[(2-fluorophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID155879946
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name4-anilino-1-[(2-fluorophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1(Nc2ccccc2)CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C21H26FN3O/c1-24(2)20(26)21(23-18-9-4-3-5-10-18)12-14-25(15-13-21)16-17-8-6-7-11-19(17)22/h3-11,23H,12-16H2,1-2H3
InChIKeyOAHLRGJPHPQQCU-UHFFFAOYSA-N
XLogP3.36
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-anilino-1-[(2-methoxyphenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155878897
4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 155873984
2-[[4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carbonyl]-methylamino]acetic acid
CID 126697747
4-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155873379
1-[(2-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide
CID 155880014
3-anilino-1-[(2-cyanophenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 155878993
1-[(2-fluorophenyl)methyl]-4-phenylpiperidine-4-carboxylic acid
CID 91252279
1-[(2-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol
CID 39355997
4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 155871248
1-[(2-chlorophenyl)methyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155878918
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098
4-(3-fluoroanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide;formic acid
CID 171695910

Frequently Asked Questions

What is the IUPAC name of 4-anilino-1-[(2-fluorophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 4-anilino-1-[(2-fluorophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide (CID 155879946) is 4-anilino-1-[(2-fluorophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 4-anilino-1-[(2-fluorophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 4-anilino-1-[(2-fluorophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1(Nc2ccccc2)CCN(Cc2ccccc2F)CC1.
What is the InChIKey of 4-anilino-1-[(2-fluorophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is OAHLRGJPHPQQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-24(2)20(26)21(23-18-9-4-3-5-10-18)12-14-25(15-13-21)16-17-8-6-7-11-19(17)22/h3-11,23H,12-16H2,1-2H3.
What are the key properties of 4-anilino-1-[(2-fluorophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide?
4-anilino-1-[(2-fluorophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-1-[(2-fluorophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 155879946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).