N-(2,6-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide

C21H23FN2O2 — CID 17019038

IUPACN-(2,6-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C21H23FN2O2/c1-14-6-5-7-15(2)19(14)23-20(25)16-10-12-24(13-11-16)21(26)17-8-3-4-9-18(17)22/h3-9,16H,10-13H2,1-2H3,(H,23,25)
InChIKeyDEFRACWVJAGGRG-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.93
Rot. Bonds3

About N-(2,6-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide

N-(2,6-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide (PubChem CID 17019038) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide
PubChem CID17019038
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC NameN-(2,6-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C21H23FN2O2/c1-14-6-5-7-15(2)19(14)23-20(25)16-10-12-24(13-11-16)21(26)17-8-3-4-9-18(17)22/h3-9,16H,10-13H2,1-2H3,(H,23,25)
InChIKeyDEFRACWVJAGGRG-UHFFFAOYSA-N
XLogP3.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorobenzoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 17019069
N-(2,6-dimethylphenyl)-1-(2-methoxybenzoyl)piperidine-4-carboxamide
CID 113006521
1-(2-fluorobenzoyl)-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 17019008
N-(4-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 113007277
1-(2-fluorobenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 17019017
N-(3-fluorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 802933
1-(2-fluorobenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 17019052
1-(2,4-difluorobenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 51192084
N-(2,6-difluorophenyl)-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide
CID 113008965
N-(2,6-dimethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006519
N-(2,6-dimethylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152337
N-cycloheptyl-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 17019024

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide (CID 17019038) is N-(2,6-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide is Cc1cccc(C)c1NC(=O)C1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of N-(2,6-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is DEFRACWVJAGGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-14-6-5-7-15(2)19(14)23-20(25)16-10-12-24(13-11-16)21(26)17-8-3-4-9-18(17)22/h3-9,16H,10-13H2,1-2H3,(H,23,25).
What are the key properties of N-(2,6-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide?
N-(2,6-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 17019038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).