4-(benzimidazol-1-yl)piperidine-1-carboxylic acid

C13H15N3O2 — CID 22047977

IUPAC4-(benzimidazol-1-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2cnc3ccccc32)CC1
InChIInChI=1S/C13H15N3O2/c17-13(18)15-7-5-10(6-8-15)16-9-14-11-3-1-2-4-12(11)16/h1-4,9-10H,5-8H2,(H,17,18)
InChIKeyFGBBDKZMKFNBPP-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.35
Rot. Bonds1

About 4-(benzimidazol-1-yl)piperidine-1-carboxylic acid

4-(benzimidazol-1-yl)piperidine-1-carboxylic acid (PubChem CID 22047977) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)piperidine-1-carboxylic acid
PubChem CID22047977
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-(benzimidazol-1-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2cnc3ccccc32)CC1
InChIInChI=1S/C13H15N3O2/c17-13(18)15-7-5-10(6-8-15)16-9-14-11-3-1-2-4-12(11)16/h1-4,9-10H,5-8H2,(H,17,18)
InChIKeyFGBBDKZMKFNBPP-UHFFFAOYSA-N
XLogP2.35
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(benzimidazol-1-yl)piperidine-1-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

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(benzimidazol-1-yl)piperidine-1-carboxylic acid (CID 22047977) is 4-(benzimidazol-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(benzimidazol-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(benzimidazol-1-yl)piperidine-1-carboxylic acid is O=C(O)N1CCC(n2cnc3ccccc32)CC1.
What is the InChIKey of 4-(benzimidazol-1-yl)piperidine-1-carboxylic acid?
The InChIKey is FGBBDKZMKFNBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-13(18)15-7-5-10(6-8-15)16-9-14-11-3-1-2-4-12(11)16/h1-4,9-10H,5-8H2,(H,17,18).
What are the key properties of 4-(benzimidazol-1-yl)piperidine-1-carboxylic acid?
4-(benzimidazol-1-yl)piperidine-1-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 22047977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).