N-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide

C21H25FN2O — CID 45008142

IUPACN-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)c(C)c1
InChIInChI=1S/C21H25FN2O/c1-15-7-8-20(16(2)13-15)23-21(25)17-9-11-24(12-10-17)14-18-5-3-4-6-19(18)22/h3-8,13,17H,9-12,14H2,1-2H3,(H,23,25)
InChIKeyISGYCXWCBOCHDW-UHFFFAOYSA-N
MW340.44 g/mol
LogP4.29
Rot. Bonds4

About N-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide

N-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 45008142) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID45008142
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC NameN-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)c(C)c1
InChIInChI=1S/C21H25FN2O/c1-15-7-8-20(16(2)13-15)23-21(25)17-9-11-24(12-10-17)14-18-5-3-4-6-19(18)22/h3-8,13,17H,9-12,14H2,1-2H3,(H,23,25)
InChIKeyISGYCXWCBOCHDW-UHFFFAOYSA-N
XLogP4.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide
CID 45012369
N-(5-chloro-2-methoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45007817
N-(4-chloro-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021349
N-(2,4-dimethylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152381
N-(4-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921571
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
1-[(2-fluorophenyl)methyl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 45016319
N-(2,4-dimethylphenyl)-1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807608
N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 45016956
N-[(2,6-difluorophenyl)methyl]-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16812707
1-[(2-chlorophenyl)methyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 45009186
1-[(2-methylphenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 45007317

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide (CID 45008142) is N-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is ISGYCXWCBOCHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-15-7-8-20(16(2)13-15)23-21(25)17-9-11-24(12-10-17)14-18-5-3-4-6-19(18)22/h3-8,13,17H,9-12,14H2,1-2H3,(H,23,25).
What are the key properties of N-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
N-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 340.44 g/mol, XLogP of 4.29, 4 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-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 45008142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).