N-(2,4-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide

C21H23FN2O2 — CID 50803874

IUPACN-(2,4-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)c3ccccc3F)C2)c(C)c1
InChIInChI=1S/C21H23FN2O2/c1-14-9-10-19(15(2)12-14)23-20(25)16-6-5-11-24(13-16)21(26)17-7-3-4-8-18(17)22/h3-4,7-10,12,16H,5-6,11,13H2,1-2H3,(H,23,25)
InChIKeyNIFNTCPMFASUOD-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.93
Rot. Bonds3

About N-(2,4-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide

N-(2,4-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide (PubChem CID 50803874) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide
PubChem CID50803874
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC NameN-(2,4-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)c3ccccc3F)C2)c(C)c1
InChIInChI=1S/C21H23FN2O2/c1-14-9-10-19(15(2)12-14)23-20(25)16-6-5-11-24(13-16)21(26)17-7-3-4-8-18(17)22/h3-4,7-10,12,16H,5-6,11,13H2,1-2H3,(H,23,25)
InChIKeyNIFNTCPMFASUOD-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

(3S)-N-(5-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide
CID 93069842
(3S)-N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 95160432
N-(2,4-dimethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 50804308
N-(4-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 113007277
1-(3,4-dichlorobenzoyl)-N-(2,4-dimethylphenyl)piperidine-3-carboxamide
CID 55631455
(3R)-N-(4-chloro-2-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082776
(3R)-1-(2-fluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94367783
ethyl 4-[[1-(2-fluorobenzoyl)piperidine-3-carbonyl]amino]benzoate
CID 50803904
ethyl 3-[[1-(2-fluorobenzoyl)piperidine-3-carbonyl]amino]benzoate
CID 50804505
1-(2-fluorobenzoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 17019069
N-(2-fluoro-5-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134062205
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide (CID 50803874) is N-(2,4-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(C(=O)c3ccccc3F)C2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide?
The InChIKey is NIFNTCPMFASUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-14-9-10-19(15(2)12-14)23-20(25)16-6-5-11-24(13-16)21(26)17-7-3-4-8-18(17)22/h3-4,7-10,12,16H,5-6,11,13H2,1-2H3,(H,23,25).
What are the key properties of N-(2,4-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide?
N-(2,4-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-3-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-(2,4-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 50803874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).