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

C19H24N4O — CID 3223244

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)cc1
InChIInChI=1S/C19H24N4O/c1-13-4-6-17(7-5-13)22-18(24)16-8-10-23(11-9-16)19-20-14(2)12-15(3)21-19/h4-7,12,16H,8-11H2,1-3H3,(H,22,24)
InChIKeyPTOSPUUWDPHCMF-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.26
Rot. Bonds3

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

1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide (PubChem CID 3223244) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide
PubChem CID3223244
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)cc1
InChIInChI=1S/C19H24N4O/c1-13-4-6-17(7-5-13)22-18(24)16-8-10-23(11-9-16)19-20-14(2)12-15(3)21-19/h4-7,12,16H,8-11H2,1-3H3,(H,22,24)
InChIKeyPTOSPUUWDPHCMF-UHFFFAOYSA-N
XLogP3.26
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.26
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-(4-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide (CID 3223244) is 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)cc1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide?
The InChIKey is PTOSPUUWDPHCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-13-4-6-17(7-5-13)22-18(24)16-8-10-23(11-9-16)19-20-14(2)12-15(3)21-19/h4-7,12,16H,8-11H2,1-3H3,(H,22,24).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.26, 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-(4-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 3223244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).