1-(4,6-dimethylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide

C19H23FN4O — CID 3223315

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)NCc3ccccc3F)CC2)n1
InChIInChI=1S/C19H23FN4O/c1-13-11-14(2)23-19(22-13)24-9-7-15(8-10-24)18(25)21-12-16-5-3-4-6-17(16)20/h3-6,11,15H,7-10,12H2,1-2H3,(H,21,25)
InChIKeyTVTFUPQROCFOAJ-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.77
Rot. Bonds4

About 1-(4,6-dimethylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide

1-(4,6-dimethylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 3223315) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID3223315
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)NCc3ccccc3F)CC2)n1
InChIInChI=1S/C19H23FN4O/c1-13-11-14(2)23-19(22-13)24-9-7-15(8-10-24)18(25)21-12-16-5-3-4-6-17(16)20/h3-6,11,15H,7-10,12H2,1-2H3,(H,21,25)
InChIKeyTVTFUPQROCFOAJ-UHFFFAOYSA-N
XLogP2.77
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide (CID 3223315) is 1-(4,6-dimethylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide is Cc1cc(C)nc(N2CCC(C(=O)NCc3ccccc3F)CC2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is TVTFUPQROCFOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-13-11-14(2)23-19(22-13)24-9-7-15(8-10-24)18(25)21-12-16-5-3-4-6-17(16)20/h3-6,11,15H,7-10,12H2,1-2H3,(H,21,25).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 3223315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).