1-(1-ethylimidazol-2-yl)-2-methylpiperidine-2-carboxylic acid

C12H19N3O2 — CID 104595846

IUPAC1-(1-ethylimidazol-2-yl)-2-methylpiperidine-2-carboxylic acid
SMILESCCn1ccnc1N1CCCCC1(C)C(=O)O
InChIInChI=1S/C12H19N3O2/c1-3-14-9-7-13-11(14)15-8-5-4-6-12(15,2)10(16)17/h7,9H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyMRILFKSVSXQMLE-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.74
Rot. Bonds3

About 1-(1-ethylimidazol-2-yl)-2-methylpiperidine-2-carboxylic acid

1-(1-ethylimidazol-2-yl)-2-methylpiperidine-2-carboxylic acid (PubChem CID 104595846) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-2-methylpiperidine-2-carboxylic acid
PubChem CID104595846
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-(1-ethylimidazol-2-yl)-2-methylpiperidine-2-carboxylic acid
SMILESCCn1ccnc1N1CCCCC1(C)C(=O)O
InChIInChI=1S/C12H19N3O2/c1-3-14-9-7-13-11(14)15-8-5-4-6-12(15,2)10(16)17/h7,9H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyMRILFKSVSXQMLE-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-ethylimidazol-2-yl)-2-methylpiperidine-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

(1-ethylcyclopentyl)-(1-ethylimidazol-2-yl)methanone
CID 114973020
1-(7-chloroquinolin-4-yl)-2-methylpiperidine-2-carboxylic acid
CID 104595813
1-(2-carbamoyl-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid
CID 104595845
1-(1-ethylpyrrole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104594637
1-[(1-ethylimidazol-2-yl)amino]cycloheptane-1-carboxylic acid
CID 62137475
1-(3-carbamoyl-2-pyridinyl)-2-methylpiperidine-2-carboxylic acid
CID 104595801
2-methyl-1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidine-2-carboxylic acid
CID 103385168
1-(2-methoxy-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid
CID 113430727
1-(4-bromo-1,3-thiazol-2-yl)-2-methylpiperidine-2-carboxylic acid
CID 104595774
1-[(1-ethylimidazol-2-yl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63147792
(2,2-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone
CID 107186966
(1-ethylimidazol-2-yl)-(1-methoxycyclopentyl)methanone
CID 104610250

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-2-methylpiperidine-2-carboxylic acid (CID 104595846) is 1-(1-ethylimidazol-2-yl)-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-2-methylpiperidine-2-carboxylic acid is CCn1ccnc1N1CCCCC1(C)C(=O)O.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-2-methylpiperidine-2-carboxylic acid?
The InChIKey is MRILFKSVSXQMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-14-9-7-13-11(14)15-8-5-4-6-12(15,2)10(16)17/h7,9H,3-6,8H2,1-2H3,(H,16,17).
What are the key properties of 1-(1-ethylimidazol-2-yl)-2-methylpiperidine-2-carboxylic acid?
1-(1-ethylimidazol-2-yl)-2-methylpiperidine-2-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104595846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).