N-(2,4-difluorophenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide

C21H22F2N2O2 — CID 113008428

IUPACN-(2,4-difluorophenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
SMILESCc1ccc(CC(=O)N2CCC(C(=O)Nc3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C21H22F2N2O2/c1-14-2-4-15(5-3-14)12-20(26)25-10-8-16(9-11-25)21(27)24-19-7-6-17(22)13-18(19)23/h2-7,13,16H,8-12H2,1H3,(H,24,27)
InChIKeyYFQMFVUNAWCKGF-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.69
Rot. Bonds4

About N-(2,4-difluorophenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide

N-(2,4-difluorophenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide (PubChem CID 113008428) has the molecular formula C21H22F2N2O2 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
PubChem CID113008428
Molecular FormulaC21H22F2N2O2
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC NameN-(2,4-difluorophenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
SMILESCc1ccc(CC(=O)N2CCC(C(=O)Nc3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C21H22F2N2O2/c1-14-2-4-15(5-3-14)12-20(26)25-10-8-16(9-11-25)21(27)24-19-7-6-17(22)13-18(19)23/h2-7,13,16H,8-12H2,1H3,(H,24,27)
InChIKeyYFQMFVUNAWCKGF-UHFFFAOYSA-N
XLogP3.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31783205
N-(2-methoxyphenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 38645839
N-(2-fluorophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113007035
1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462642
N-(4-acetamidophenyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113007926
1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
tert-butyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 9209463
1-[2-(4-chlorophenyl)acetyl]-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
CID 113006490
N-(2-ethyl-6-methylphenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113006759
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113008337
1-[2-(4-chlorophenyl)acetyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 113008999
N-(2,4-difluorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 1211082

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide (CID 113008428) is N-(2,4-difluorophenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide is Cc1ccc(CC(=O)N2CCC(C(=O)Nc3ccc(F)cc3F)CC2)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide?
The InChIKey is YFQMFVUNAWCKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O2/c1-14-2-4-15(5-3-14)12-20(26)25-10-8-16(9-11-25)21(27)24-19-7-6-17(22)13-18(19)23/h2-7,13,16H,8-12H2,1H3,(H,24,27).
What are the key properties of N-(2,4-difluorophenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide?
N-(2,4-difluorophenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 113008428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).