1-(2,4-difluorobenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide

C20H20F2N2O2 — CID 51192084

IUPAC1-(2,4-difluorobenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C20H20F2N2O2/c1-13-4-2-3-5-18(13)23-19(25)14-8-10-24(11-9-14)20(26)16-7-6-15(21)12-17(16)22/h2-7,12,14H,8-11H2,1H3,(H,23,25)
InChIKeyQTWRUQBZCGJQED-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.76
Rot. Bonds3

About 1-(2,4-difluorobenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide

1-(2,4-difluorobenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide (PubChem CID 51192084) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is 1-(2,4-difluorobenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorobenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
PubChem CID51192084
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name1-(2,4-difluorobenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C20H20F2N2O2/c1-13-4-2-3-5-18(13)23-19(25)14-8-10-24(11-9-14)20(26)16-7-6-15(21)12-17(16)22/h2-7,12,14H,8-11H2,1H3,(H,23,25)
InChIKeyQTWRUQBZCGJQED-UHFFFAOYSA-N
XLogP3.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide;hydrochloride
CID 119422265
N-(2-carbamoylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 51208693
N-(2-anilinophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 112772245
N-(3-chloro-2-fluorophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 30992722
1-(2,4-difluorobenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 46487334
1-(2,4-difluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 78803399
1-(2,4-difluorobenzoyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 38692821
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
1-(2,4-difluorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 30430699
N-(4-carbamoyl-3-methylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 56517553
N-(4-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 113007277
1-(2,4-difluorobenzoyl)-N-(2,4-dimethoxyphenyl)piperidine-4-carboxamide
CID 30433077

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorobenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-difluorobenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide (CID 51192084) is 1-(2,4-difluorobenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorobenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorobenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide is Cc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorobenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide?
The InChIKey is QTWRUQBZCGJQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c1-13-4-2-3-5-18(13)23-19(25)14-8-10-24(11-9-14)20(26)16-7-6-15(21)12-17(16)22/h2-7,12,14H,8-11H2,1H3,(H,23,25).
What are the key properties of 1-(2,4-difluorobenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide?
1-(2,4-difluorobenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorobenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 51192084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).