5-(piperidin-1-ylmethyl)-1H-imidazole-2-carboxylic acid

C10H15N3O2 — CID 117191654

IUPAC5-(piperidin-1-ylmethyl)-1H-imidazole-2-carboxylic acid
SMILESO=C(O)c1ncc(CN2CCCCC2)[nH]1
InChIInChI=1S/C10H15N3O2/c14-10(15)9-11-6-8(12-9)7-13-4-2-1-3-5-13/h6H,1-5,7H2,(H,11,12)(H,14,15)
InChIKeyKFALPZAZSKEBBI-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.09
Rot. Bonds3

About 5-(piperidin-1-ylmethyl)-1H-imidazole-2-carboxylic acid

5-(piperidin-1-ylmethyl)-1H-imidazole-2-carboxylic acid (PubChem CID 117191654) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-(piperidin-1-ylmethyl)-1H-imidazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(piperidin-1-ylmethyl)-1H-imidazole-2-carboxylic acid
PubChem CID117191654
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name5-(piperidin-1-ylmethyl)-1H-imidazole-2-carboxylic acid
SMILESO=C(O)c1ncc(CN2CCCCC2)[nH]1
InChIInChI=1S/C10H15N3O2/c14-10(15)9-11-6-8(12-9)7-13-4-2-1-3-5-13/h6H,1-5,7H2,(H,11,12)(H,14,15)
InChIKeyKFALPZAZSKEBBI-UHFFFAOYSA-N
XLogP1.09
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-1-ylmethyl)-1H-imidazole-2-carboxylic acid?
The IUPAC name of 5-(piperidin-1-ylmethyl)-1H-imidazole-2-carboxylic acid (CID 117191654) is 5-(piperidin-1-ylmethyl)-1H-imidazole-2-carboxylic acid.
What is the SMILES notation for 5-(piperidin-1-ylmethyl)-1H-imidazole-2-carboxylic acid?
The canonical SMILES for 5-(piperidin-1-ylmethyl)-1H-imidazole-2-carboxylic acid is O=C(O)c1ncc(CN2CCCCC2)[nH]1.
What is the InChIKey of 5-(piperidin-1-ylmethyl)-1H-imidazole-2-carboxylic acid?
The InChIKey is KFALPZAZSKEBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-10(15)9-11-6-8(12-9)7-13-4-2-1-3-5-13/h6H,1-5,7H2,(H,11,12)(H,14,15).
What are the key properties of 5-(piperidin-1-ylmethyl)-1H-imidazole-2-carboxylic acid?
5-(piperidin-1-ylmethyl)-1H-imidazole-2-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-1-ylmethyl)-1H-imidazole-2-carboxylic acid is sourced from PubChem (CID 117191654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).