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

C14H21N3O2 — CID 114422399

IUPAC4-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESCC1CCN(c2cc(C(C)C)ncn2)C(C(=O)O)C1
InChIInChI=1S/C14H21N3O2/c1-9(2)11-7-13(16-8-15-11)17-5-4-10(3)6-12(17)14(18)19/h7-10,12H,4-6H2,1-3H3,(H,18,19)
InChIKeyXOBXZKVPOGJUQP-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.29
Rot. Bonds3

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

4-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid (PubChem CID 114422399) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
PubChem CID114422399
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESCC1CCN(c2cc(C(C)C)ncn2)C(C(=O)O)C1
InChIInChI=1S/C14H21N3O2/c1-9(2)11-7-13(16-8-15-11)17-5-4-10(3)6-12(17)14(18)19/h7-10,12H,4-6H2,1-3H3,(H,18,19)
InChIKeyXOBXZKVPOGJUQP-UHFFFAOYSA-N
XLogP2.29
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-1-(6-propan-2-ylpyrimidin-4-yl)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

(2S)-1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059787
2-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 106742662
4-methyl-1-pyrimidin-4-ylpiperidine-2-carboxylic acid
CID 114422310
4-(6-propan-2-ylpyrimidin-4-yl)thiomorpholine-3-carboxylic acid
CID 82904493
4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114422241
methyl 1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 55031092
1-(4-cyano-2-pyridinyl)-4-methylpiperidine-2-carboxylic acid
CID 114422351
methyl 4-(6-propan-2-ylpyrimidin-4-yl)morpholine-3-carboxylate
CID 113451826
4-methyl-1-pyrido[2,3-b]pyrazin-6-ylpiperidine-2-carboxylic acid
CID 114422197
3-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 62216303
4-(3-chloro-4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine
CID 102960858
4-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114422311

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid (CID 114422399) is 4-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid is CC1CCN(c2cc(C(C)C)ncn2)C(C(=O)O)C1.
What is the InChIKey of 4-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid?
The InChIKey is XOBXZKVPOGJUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(2)11-7-13(16-8-15-11)17-5-4-10(3)6-12(17)14(18)19/h7-10,12H,4-6H2,1-3H3,(H,18,19).
What are the key properties of 4-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid?
4-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.29, 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-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114422399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).