3-methyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid

C11H17N3O2 — CID 63136027

IUPAC3-methyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid
SMILESCn1ccnc1N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C11H17N3O2/c1-11(9(15)16)4-3-6-14(8-11)10-12-5-7-13(10)2/h5,7H,3-4,6,8H2,1-2H3,(H,15,16)
InChIKeyVIKKFKNPAHBNIU-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.11
Rot. Bonds2

About 3-methyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid

3-methyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid (PubChem CID 63136027) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-methyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid
PubChem CID63136027
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-methyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid
SMILESCn1ccnc1N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C11H17N3O2/c1-11(9(15)16)4-3-6-14(8-11)10-12-5-7-13(10)2/h5,7H,3-4,6,8H2,1-2H3,(H,15,16)
InChIKeyVIKKFKNPAHBNIU-UHFFFAOYSA-N
XLogP1.11
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid
CID 63136213
3-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carboxylic acid
CID 63135534
1-(1-methylimidazol-2-yl)piperidine;dihydrochloride
CID 141222572
1-(3-methoxycarbonyl-2-pyridinyl)-3-methylpiperidine-3-carboxylic acid
CID 63135852
1-(4-carbamoylphenyl)-3-methylpiperidine-3-carboxylic acid
CID 63136252
1-(4-ethylphenyl)-3-methylpiperidine-3-carboxylic acid
CID 117011718
3-methyl-1-(3-nitro-4-pyridinyl)piperidine-3-carboxylic acid
CID 63136298
1-(6-ethoxy-2-methylpyrimidin-4-yl)-3-methylpiperidine-3-carboxylic acid
CID 66333107
3-methyl-1-(1-pyridin-4-ylethyl)piperidine-3-carboxylic acid
CID 65068572
3-methyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid
CID 63152308
1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-3-methylpiperidine-3-carboxylic acid
CID 63757663
3-methyl-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylic acid
CID 63136416

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid (CID 63136027) is 3-methyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid is Cn1ccnc1N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid?
The InChIKey is VIKKFKNPAHBNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(9(15)16)4-3-6-14(8-11)10-12-5-7-13(10)2/h5,7H,3-4,6,8H2,1-2H3,(H,15,16).
What are the key properties of 3-methyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid?
3-methyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63136027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).