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

C19H23FN4O — CID 3224237

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)NCc3ccccc3F)C2)n1
InChIInChI=1S/C19H23FN4O/c1-13-10-14(2)23-19(22-13)24-9-5-7-16(12-24)18(25)21-11-15-6-3-4-8-17(15)20/h3-4,6,8,10,16H,5,7,9,11-12H2,1-2H3,(H,21,25)
InChIKeyJPYFRLVDAZVLIT-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.77
Rot. Bonds4

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

1-(4,6-dimethylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 3224237) 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-3-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID3224237
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)NCc3ccccc3F)C2)n1
InChIInChI=1S/C19H23FN4O/c1-13-10-14(2)23-19(22-13)24-9-5-7-16(12-24)18(25)21-11-15-6-3-4-8-17(15)20/h3-4,6,8,10,16H,5,7,9,11-12H2,1-2H3,(H,21,25)
InChIKeyJPYFRLVDAZVLIT-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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Related Compounds

N-(4,6-diphenylpyrimidin-2-yl)-3-methylbutyramide
CID 11301995
Pentanoic acid (4,6-diphenylpyrimidin-2-yl)amide
CID 11450364
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649
N-(4,6-diphenylpyrimidin-2-yl)-2-ethylbutyramide
CID 11290921
N-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutyramide
CID 11371386
N-(2,6-Diphenylpyrimidin-4-YL)-2-methylbutanamide
CID 11427528
N-(2,6-diphenylpyrimidin-4-yl)-3-methylbutyramide
CID 11739042
2-amino-4-[[(1S)-1-(7-fluoro-4-oxo-3-phenylquinolizin-2-yl)ethyl]amino]-6-methylpyrimidine-5-carbonitrile
CID 118630968
Pentanamide, N-(2,6-diphenyl-4-pyrimidinyl)-
CID 11404772
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (3-trifluoromethyl-phenyl)-amide
CID 655169
1-Pyrimidin-2-yl-piperidine-3-carboxylic acid (2-ethyl-phenyl)-amide
CID 3221260
1-Pyrimidin-2-yl-piperidine-3-carboxylic acid (2,4-dimethyl-phenyl)-amide
CID 3221266

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide (CID 3224237) is 1-(4,6-dimethylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide is Cc1cc(C)nc(N2CCCC(C(=O)NCc3ccccc3F)C2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is JPYFRLVDAZVLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-13-10-14(2)23-19(22-13)24-9-5-7-16(12-24)18(25)21-11-15-6-3-4-8-17(15)20/h3-4,6,8,10,16H,5,7,9,11-12H2,1-2H3,(H,21,25).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-[(2-fluorophenyl)methyl]piperidine-3-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-3-carboxamide is sourced from PubChem (CID 3224237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).