N-(2,3-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

C21H25FN2O — CID 45012649

IUPACN-(2,3-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1C
InChIInChI=1S/C21H25FN2O/c1-15-4-3-5-20(16(15)2)23-21(25)18-10-12-24(13-11-18)14-17-6-8-19(22)9-7-17/h3-9,18H,10-14H2,1-2H3,(H,23,25)
InChIKeyYFUFPYOCAWIVBK-UHFFFAOYSA-N
MW340.44 g/mol
LogP4.29
Rot. Bonds4

About N-(2,3-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

N-(2,3-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 45012649) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID45012649
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC NameN-(2,3-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1C
InChIInChI=1S/C21H25FN2O/c1-15-4-3-5-20(16(15)2)23-21(25)18-10-12-24(13-11-18)14-17-6-8-19(22)9-7-17/h3-9,18H,10-14H2,1-2H3,(H,23,25)
InChIKeyYFUFPYOCAWIVBK-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-chloro-6-fluorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 53284671
N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45006997
1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 45007705
N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 17297980
1-[(4-fluorophenyl)methyl]-N-(4-iodo-2-methylphenyl)piperidine-4-carboxamide
CID 45014317
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43921645
N-[2-(diethylcarbamoyl)phenyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45007629
(3R)-1-[(4-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 93490949
N-(2,3-dichlorophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019585
(3R)-1-benzyl-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 93490945
3-(2,3-dimethylphenyl)-1-(1-ethylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]urea
CID 20908251

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (CID 45012649) is N-(2,3-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is Cc1cccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is YFUFPYOCAWIVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-15-4-3-5-20(16(15)2)23-21(25)18-10-12-24(13-11-18)14-17-6-8-19(22)9-7-17/h3-9,18H,10-14H2,1-2H3,(H,23,25).
What are the key properties of N-(2,3-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
N-(2,3-dimethylphenyl)-1-[(4-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-(2,3-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 45012649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).