1-(2,6-dimethylpyrimidine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid

C14H19N3O3 — CID 122112968

IUPAC1-(2,6-dimethylpyrimidine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CC(C(=O)O)CCC2C)nc(C)n1
InChIInChI=1S/C14H19N3O3/c1-8-6-12(16-10(3)15-8)13(18)17-7-11(14(19)20)5-4-9(17)2/h6,9,11H,4-5,7H2,1-3H3,(H,19,20)
InChIKeyUTDOKLJQWFHMSV-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.42
Rot. Bonds2

About 1-(2,6-dimethylpyrimidine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid

1-(2,6-dimethylpyrimidine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid (PubChem CID 122112968) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(2,6-dimethylpyrimidine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,6-dimethylpyrimidine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid
PubChem CID122112968
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-(2,6-dimethylpyrimidine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CC(C(=O)O)CCC2C)nc(C)n1
InChIInChI=1S/C14H19N3O3/c1-8-6-12(16-10(3)15-8)13(18)17-7-11(14(19)20)5-4-9(17)2/h6,9,11H,4-5,7H2,1-3H3,(H,19,20)
InChIKeyUTDOKLJQWFHMSV-UHFFFAOYSA-N
XLogP1.42
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,6-dimethylpyrimidine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 122083564
1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083558
1-(2,5-dimethylfuran-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083917
1-(3,5-dimethylfuran-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113561
(6-chloro-2-methylpyrimidin-4-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 97458045
6-methyl-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122083597
1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113269
1-(5-bromo-3-methylfuran-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113905
1-(5-fluoropyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083524
(2,5-dimethylpiperidin-1-yl)-(2-hydrazinyl-6-methylpyrimidin-4-yl)methanone
CID 114220627
1-(3-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122083734
1-(4,5-dimethylthiophene-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122112886

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpyrimidine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2,6-dimethylpyrimidine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid (CID 122112968) is 1-(2,6-dimethylpyrimidine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,6-dimethylpyrimidine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2,6-dimethylpyrimidine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid is Cc1cc(C(=O)N2CC(C(=O)O)CCC2C)nc(C)n1.
What is the InChIKey of 1-(2,6-dimethylpyrimidine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The InChIKey is UTDOKLJQWFHMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-8-6-12(16-10(3)15-8)13(18)17-7-11(14(19)20)5-4-9(17)2/h6,9,11H,4-5,7H2,1-3H3,(H,19,20).
What are the key properties of 1-(2,6-dimethylpyrimidine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid?
1-(2,6-dimethylpyrimidine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpyrimidine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122112968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).