4-(3H-benzimidazol-5-yl)piperidine-2-carboxylic acid

C13H15N3O2 — CID 82385122

IUPAC4-(3H-benzimidazol-5-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CC(c2ccc3nc[nH]c3c2)CCN1
InChIInChI=1S/C13H15N3O2/c17-13(18)12-6-9(3-4-14-12)8-1-2-10-11(5-8)16-7-15-10/h1-2,5,7,9,12,14H,3-4,6H2,(H,15,16)(H,17,18)
InChIKeyOYHWLLWQEKDLRE-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.48
Rot. Bonds2

About 4-(3H-benzimidazol-5-yl)piperidine-2-carboxylic acid

4-(3H-benzimidazol-5-yl)piperidine-2-carboxylic acid (PubChem CID 82385122) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-(3H-benzimidazol-5-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3H-benzimidazol-5-yl)piperidine-2-carboxylic acid
PubChem CID82385122
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-(3H-benzimidazol-5-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CC(c2ccc3nc[nH]c3c2)CCN1
InChIInChI=1S/C13H15N3O2/c17-13(18)12-6-9(3-4-14-12)8-1-2-10-11(5-8)16-7-15-10/h1-2,5,7,9,12,14H,3-4,6H2,(H,15,16)(H,17,18)
InChIKeyOYHWLLWQEKDLRE-UHFFFAOYSA-N
XLogP1.48
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]acetic acid
CID 116979486
6-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 96670413
4-(furan-3-yl)piperidine-2-carboxylic acid
CID 82400578
N-(3H-benzimidazol-5-ylmethyl)piperidine-2-carboxamide
CID 110482372
5-[4-(3H-benzimidazol-5-yl)phenyl]triazolidine-4-carboxylic acid
CID 171664162
N-(2-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide
CID 106995338
2-(3H-benzimidazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 115165334
(2S)-4-phenylpiperidine-2-carboxamide
CID 129163808
bis(3H-benzimidazol-5-yl)methanone
CID 71332789
N-(3H-benzimidazol-5-yl)morpholine-3-carboxamide
CID 115177562
4-(4-phenylphenyl)piperidine-2-carboxamide
CID 65455321
(2S,3R)-3-[amino(3H-benzimidazol-5-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 67532011

Frequently Asked Questions

What is the IUPAC name of 4-(3H-benzimidazol-5-yl)piperidine-2-carboxylic acid?
The IUPAC name of 4-(3H-benzimidazol-5-yl)piperidine-2-carboxylic acid (CID 82385122) is 4-(3H-benzimidazol-5-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-(3H-benzimidazol-5-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-(3H-benzimidazol-5-yl)piperidine-2-carboxylic acid is O=C(O)C1CC(c2ccc3nc[nH]c3c2)CCN1.
What is the InChIKey of 4-(3H-benzimidazol-5-yl)piperidine-2-carboxylic acid?
The InChIKey is OYHWLLWQEKDLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-13(18)12-6-9(3-4-14-12)8-1-2-10-11(5-8)16-7-15-10/h1-2,5,7,9,12,14H,3-4,6H2,(H,15,16)(H,17,18).
What are the key properties of 4-(3H-benzimidazol-5-yl)piperidine-2-carboxylic acid?
4-(3H-benzimidazol-5-yl)piperidine-2-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3H-benzimidazol-5-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 82385122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).