3-methyl-1-[(2-methylpyrimidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid

C14H20N4O3 — CID 107071555

IUPAC3-methyl-1-[(2-methylpyrimidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid
SMILESCc1nccc(CNC(=O)N2CCCC(C)C2C(=O)O)n1
InChIInChI=1S/C14H20N4O3/c1-9-4-3-7-18(12(9)13(19)20)14(21)16-8-11-5-6-15-10(2)17-11/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyPBOGPMXRENYUQY-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.18
Rot. Bonds3

About 3-methyl-1-[(2-methylpyrimidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid

3-methyl-1-[(2-methylpyrimidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid (PubChem CID 107071555) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-methyl-1-[(2-methylpyrimidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(2-methylpyrimidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid
PubChem CID107071555
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name3-methyl-1-[(2-methylpyrimidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid
SMILESCc1nccc(CNC(=O)N2CCCC(C)C2C(=O)O)n1
InChIInChI=1S/C14H20N4O3/c1-9-4-3-7-18(12(9)13(19)20)14(21)16-8-11-5-6-15-10(2)17-11/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyPBOGPMXRENYUQY-UHFFFAOYSA-N
XLogP1.18
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-[(2-methylpyrimidin-4-yl)methylcarbamoyl]piperidine-2-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

2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
CID 47328498
3-methyl-1-[(4-methylphenyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 107071273
2-(2-hydroxy-2-phenylethyl)-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-1-carboxamide
CID 71868512
2-methyl-3-[(2-methylpyrimidin-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780826
2-[[(2,3-dimethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114325286
1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 128942253
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methylpyrimidin-4-yl)methyl]azepane-1-carboxamide
CID 75501107
3-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 107071231
(2R)-2-(1H-indol-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
CID 98900942
3-methyl-1-[(3-methylthiophen-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 102782899
(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
CID 124616039
3-methyl-1-(2-thiophen-3-ylethylcarbamoyl)piperidine-2-carboxylic acid
CID 107071458

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(2-methylpyrimidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-[(2-methylpyrimidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid (CID 107071555) is 3-methyl-1-[(2-methylpyrimidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(2-methylpyrimidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(2-methylpyrimidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid is Cc1nccc(CNC(=O)N2CCCC(C)C2C(=O)O)n1.
What is the InChIKey of 3-methyl-1-[(2-methylpyrimidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid?
The InChIKey is PBOGPMXRENYUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-9-4-3-7-18(12(9)13(19)20)14(21)16-8-11-5-6-15-10(2)17-11/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 3-methyl-1-[(2-methylpyrimidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid?
3-methyl-1-[(2-methylpyrimidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(2-methylpyrimidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 107071555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).