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

C20H26N4O — CID 647409

IUPACN-(3,5-dimethylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2CCCN(c3nc(C)cc(C)n3)C2)c1
InChIInChI=1S/C20H26N4O/c1-13-8-14(2)10-18(9-13)23-19(25)17-6-5-7-24(12-17)20-21-15(3)11-16(4)22-20/h8-11,17H,5-7,12H2,1-4H3,(H,23,25)
InChIKeyDWVTZXLLORBTLI-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.57
Rot. Bonds3

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

N-(3,5-dimethylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 647409) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID647409
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-(3,5-dimethylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2CCCN(c3nc(C)cc(C)n3)C2)c1
InChIInChI=1S/C20H26N4O/c1-13-8-14(2)10-18(9-13)23-19(25)17-6-5-7-24(12-17)20-21-15(3)11-16(4)22-20/h8-11,17H,5-7,12H2,1-4H3,(H,23,25)
InChIKeyDWVTZXLLORBTLI-UHFFFAOYSA-N
XLogP3.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide (CID 647409) is N-(3,5-dimethylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide is Cc1cc(C)cc(NC(=O)C2CCCN(c3nc(C)cc(C)n3)C2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is DWVTZXLLORBTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-13-8-14(2)10-18(9-13)23-19(25)17-6-5-7-24(12-17)20-21-15(3)11-16(4)22-20/h8-11,17H,5-7,12H2,1-4H3,(H,23,25).
What are the key properties of N-(3,5-dimethylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
N-(3,5-dimethylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 647409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).