1-(4,6-dimethylpyrimidin-2-yl)-N-(5-fluoro-2-methylphenyl)piperidine-3-carboxamide

C19H23FN4O — CID 654105

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-(5-fluoro-2-methylphenyl)piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)Nc3cc(F)ccc3C)C2)n1
InChIInChI=1S/C19H23FN4O/c1-12-6-7-16(20)10-17(12)23-18(25)15-5-4-8-24(11-15)19-21-13(2)9-14(3)22-19/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H,23,25)
InChIKeyIQSQRDAOUPQSCU-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.40
Rot. Bonds3

About 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-fluoro-2-methylphenyl)piperidine-3-carboxamide

1-(4,6-dimethylpyrimidin-2-yl)-N-(5-fluoro-2-methylphenyl)piperidine-3-carboxamide (PubChem CID 654105) 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-(5-fluoro-2-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-(5-fluoro-2-methylphenyl)piperidine-3-carboxamide
PubChem CID654105
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-(5-fluoro-2-methylphenyl)piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)Nc3cc(F)ccc3C)C2)n1
InChIInChI=1S/C19H23FN4O/c1-12-6-7-16(20)10-17(12)23-18(25)15-5-4-8-24(11-15)19-21-13(2)9-14(3)22-19/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H,23,25)
InChIKeyIQSQRDAOUPQSCU-UHFFFAOYSA-N
XLogP3.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-fluoro-2-methylphenyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-fluoro-2-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-fluoro-2-methylphenyl)piperidine-3-carboxamide (CID 654105) is 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-fluoro-2-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-fluoro-2-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-fluoro-2-methylphenyl)piperidine-3-carboxamide is Cc1cc(C)nc(N2CCCC(C(=O)Nc3cc(F)ccc3C)C2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-fluoro-2-methylphenyl)piperidine-3-carboxamide?
The InChIKey is IQSQRDAOUPQSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-12-6-7-16(20)10-17(12)23-18(25)15-5-4-8-24(11-15)19-21-13(2)9-14(3)22-19/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H,23,25).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-fluoro-2-methylphenyl)piperidine-3-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-(5-fluoro-2-methylphenyl)piperidine-3-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.40, 3 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-(5-fluoro-2-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 654105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).