4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid

C13H15N3O3 — CID 22047772

IUPAC4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C13H15N3O3/c17-12-14-10-3-1-2-4-11(10)16(12)9-5-7-15(8-6-9)13(18)19/h1-4,9H,5-8H2,(H,14,17)(H,18,19)
InChIKeyOYMBDCCMCHDGNO-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.64
Rot. Bonds1

About 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid

4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid (PubChem CID 22047772) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
PubChem CID22047772
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C13H15N3O3/c17-12-14-10-3-1-2-4-11(10)16(12)9-5-7-15(8-6-9)13(18)19/h1-4,9H,5-8H2,(H,14,17)(H,18,19)
InChIKeyOYMBDCCMCHDGNO-UHFFFAOYSA-N
XLogP1.64
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid (CID 22047772) is 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid is O=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid?
The InChIKey is OYMBDCCMCHDGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-12-14-10-3-1-2-4-11(10)16(12)9-5-7-15(8-6-9)13(18)19/h1-4,9H,5-8H2,(H,14,17)(H,18,19).
What are the key properties of 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid?
4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 22047772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).