6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyridine-2-carboxylic acid

C18H18N4O3 — CID 122047626

IUPAC6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)n1
InChIInChI=1S/C18H18N4O3/c23-17(24)14-5-3-7-16(19-14)21-10-8-12(9-11-21)22-15-6-2-1-4-13(15)20-18(22)25/h1-7,12H,8-11H2,(H,20,25)(H,23,24)
InChIKeyXAVVNCLLRULODK-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.26
Rot. Bonds3

About 6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyridine-2-carboxylic acid

6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122047626) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID122047626
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)n1
InChIInChI=1S/C18H18N4O3/c23-17(24)14-5-3-7-16(19-14)21-10-8-12(9-11-21)22-15-6-2-1-4-13(15)20-18(22)25/h1-7,12H,8-11H2,(H,20,25)(H,23,24)
InChIKeyXAVVNCLLRULODK-UHFFFAOYSA-N
XLogP2.26
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyridine-2-carboxylic acid (CID 122047626) is 6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)n1.
What is the InChIKey of 6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is XAVVNCLLRULODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c23-17(24)14-5-3-7-16(19-14)21-10-8-12(9-11-21)22-15-6-2-1-4-13(15)20-18(22)25/h1-7,12H,8-11H2,(H,20,25)(H,23,24).
What are the key properties of 6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyridine-2-carboxylic acid?
6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 338.37 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122047626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).