N-(2,4-dimethylphenyl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide

C24H25FN4O — CID 53062234

IUPACN-(2,4-dimethylphenyl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3cc(-c4cccc(F)c4)ncn3)CC2)c(C)c1
InChIInChI=1S/C24H25FN4O/c1-16-6-7-21(17(2)12-16)28-24(30)18-8-10-29(11-9-18)23-14-22(26-15-27-23)19-4-3-5-20(25)13-19/h3-7,12-15,18H,8-11H2,1-2H3,(H,28,30)
InChIKeyNILSOMYLEWDJPG-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.75
Rot. Bonds4

About N-(2,4-dimethylphenyl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide

N-(2,4-dimethylphenyl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 53062234) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID53062234
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC NameN-(2,4-dimethylphenyl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3cc(-c4cccc(F)c4)ncn3)CC2)c(C)c1
InChIInChI=1S/C24H25FN4O/c1-16-6-7-21(17(2)12-16)28-24(30)18-8-10-29(11-9-18)23-14-22(26-15-27-23)19-4-3-5-20(25)13-19/h3-7,12-15,18H,8-11H2,1-2H3,(H,28,30)
InChIKeyNILSOMYLEWDJPG-UHFFFAOYSA-N
XLogP4.75
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53061964
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062203
N-(3,5-dimethoxyphenyl)-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062099
N-(3,5-dimethylphenyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062142
N-[3-(diethylamino)propyl]-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062200
N-(3-chlorophenyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062148
N-(3-methoxyphenyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062144
N-butyl-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062056
N-phenyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062015
N-(2,4-dimethylphenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365483
N-(2,4-dimethylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152381
N-(4-bromo-2-fluorophenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90519545

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 53062234) is N-(2,4-dimethylphenyl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(c3cc(-c4cccc(F)c4)ncn3)CC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is NILSOMYLEWDJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O/c1-16-6-7-21(17(2)12-16)28-24(30)18-8-10-29(11-9-18)23-14-22(26-15-27-23)19-4-3-5-20(25)13-19/h3-7,12-15,18H,8-11H2,1-2H3,(H,28,30).
What are the key properties of N-(2,4-dimethylphenyl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-(2,4-dimethylphenyl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53062234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).