1-(2-imidazol-1-ylethyl)piperidine-3-carboxylic acid

C11H17N3O2 — CID 43440672

IUPAC1-(2-imidazol-1-ylethyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(CCn2ccnc2)C1
InChIInChI=1S/C11H17N3O2/c15-11(16)10-2-1-4-13(8-10)6-7-14-5-3-12-9-14/h3,5,9-10H,1-2,4,6-8H2,(H,15,16)
InChIKeyMOHZADKQXBIXGP-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.68
Rot. Bonds4

About 1-(2-imidazol-1-ylethyl)piperidine-3-carboxylic acid

1-(2-imidazol-1-ylethyl)piperidine-3-carboxylic acid (PubChem CID 43440672) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(2-imidazol-1-ylethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-imidazol-1-ylethyl)piperidine-3-carboxylic acid
PubChem CID43440672
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(2-imidazol-1-ylethyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(CCn2ccnc2)C1
InChIInChI=1S/C11H17N3O2/c15-11(16)10-2-1-4-13(8-10)6-7-14-5-3-12-9-14/h3,5,9-10H,1-2,4,6-8H2,(H,15,16)
InChIKeyMOHZADKQXBIXGP-UHFFFAOYSA-N
XLogP0.68
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1H-Imidazol-1-yl)pentanoic acid hydrochloride
CID 45259324
5-(1H-imidazol-1-yl)pentanoic acid
CID 12803313
1-(Pyrazin-2-yl)piperidine-3-carboxylic acid
CID 16786441
6-(1H-Imidazol-1-yl)hexanoic acid
CID 12803314
5H,6H,7H,8H-imidazo(1,2-a)pyridine-8-carboxylic acid
CID 47003545
5H,6H,7H,8H-imidazo(1,2-a)pyridine-6-carboxylic acid hydrochloride
CID 91663960
3-bromo-5H,6H,7H,8H-imidazo(1,2-a)pyridine-6-carboxylic acid hydrochloride
CID 145874458
3-bromo-5H,6H,7H,8H-imidazo[1,2-a]pyridine-8-carboxylic acid hydrochloride
CID 165669590
5H,6H,7H,8H-imidazo[1,2-a]pyridine-8-carboxylic acid hydrochloride
CID 165801362
3-(2-methoxyethyl)-1-[3-(2-methyl-1H-imidazol-1-yl)propyl]-3-piperidinecarboxylic acid
CID 72870974
ethyl (3S)-1-(3-imidazol-1-ylpropanoyl)piperidine-3-carboxylate
CID 51419312
5H,6H,7H,8H-imidazo[1,2-a]pyridine-6-carboxylic acid
CID 10820947

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazol-1-ylethyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-imidazol-1-ylethyl)piperidine-3-carboxylic acid (CID 43440672) is 1-(2-imidazol-1-ylethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-imidazol-1-ylethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-imidazol-1-ylethyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(CCn2ccnc2)C1.
What is the InChIKey of 1-(2-imidazol-1-ylethyl)piperidine-3-carboxylic acid?
The InChIKey is MOHZADKQXBIXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-11(16)10-2-1-4-13(8-10)6-7-14-5-3-12-9-14/h3,5,9-10H,1-2,4,6-8H2,(H,15,16).
What are the key properties of 1-(2-imidazol-1-ylethyl)piperidine-3-carboxylic acid?
1-(2-imidazol-1-ylethyl)piperidine-3-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-ylethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 43440672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).