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

C20H26N4O — CID 3224241

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCN(c3nc(C)cc(C)n3)C2)cc1
InChIInChI=1S/C20H26N4O/c1-14-6-8-17(9-7-14)12-21-19(25)18-5-4-10-24(13-18)20-22-15(2)11-16(3)23-20/h6-9,11,18H,4-5,10,12-13H2,1-3H3,(H,21,25)
InChIKeyYKYRJYOJHWZQNV-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.93
Rot. Bonds4

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

1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 3224241) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID3224241
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCN(c3nc(C)cc(C)n3)C2)cc1
InChIInChI=1S/C20H26N4O/c1-14-6-8-17(9-7-14)12-21-19(25)18-5-4-10-24(13-18)20-22-15(2)11-16(3)23-20/h6-9,11,18H,4-5,10,12-13H2,1-3H3,(H,21,25)
InChIKeyYKYRJYOJHWZQNV-UHFFFAOYSA-N
XLogP2.93
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.93
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)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide (CID 3224241) is 1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide is Cc1ccc(CNC(=O)C2CCCN(c3nc(C)cc(C)n3)C2)cc1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is YKYRJYOJHWZQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14-6-8-17(9-7-14)12-21-19(25)18-5-4-10-24(13-18)20-22-15(2)11-16(3)23-20/h6-9,11,18H,4-5,10,12-13H2,1-3H3,(H,21,25).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 2.93, 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-[(4-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 3224241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).