4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid

C15H23N3O2 — CID 114422241

IUPAC4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESCc1cc(N2CCC(C)CC2C(=O)O)nc(C(C)C)n1
InChIInChI=1S/C15H23N3O2/c1-9(2)14-16-11(4)8-13(17-14)18-6-5-10(3)7-12(18)15(19)20/h8-10,12H,5-7H2,1-4H3,(H,19,20)
InChIKeyKZPGCQPDFWARPY-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.60
Rot. Bonds3

About 4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid

4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid (PubChem CID 114422241) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
PubChem CID114422241
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESCc1cc(N2CCC(C)CC2C(=O)O)nc(C(C)C)n1
InChIInChI=1S/C15H23N3O2/c1-9(2)14-16-11(4)8-13(17-14)18-6-5-10(3)7-12(18)15(19)20/h8-10,12H,5-7H2,1-4H3,(H,19,20)
InChIKeyKZPGCQPDFWARPY-UHFFFAOYSA-N
XLogP2.60
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid (CID 114422241) is 4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid is Cc1cc(N2CCC(C)CC2C(=O)O)nc(C(C)C)n1.
What is the InChIKey of 4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid?
The InChIKey is KZPGCQPDFWARPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-9(2)14-16-11(4)8-13(17-14)18-6-5-10(3)7-12(18)15(19)20/h8-10,12H,5-7H2,1-4H3,(H,19,20).
What are the key properties of 4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid?
4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid has a molecular weight of 277.37 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114422241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).