3-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-5-carboxylic acid

C14H15N3O3 — CID 82790720

IUPAC3-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-5-carboxylic acid
SMILESCN1CC(n2cnc3ccc(C(=O)O)cc32)CCC1=O
InChIInChI=1S/C14H15N3O3/c1-16-7-10(3-5-13(16)18)17-8-15-11-4-2-9(14(19)20)6-12(11)17/h2,4,6,8,10H,3,5,7H2,1H3,(H,19,20)
InChIKeyKVTGQSUYFPMINB-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.53
Rot. Bonds2

About 3-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-5-carboxylic acid

3-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-5-carboxylic acid (PubChem CID 82790720) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-5-carboxylic acid
PubChem CID82790720
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name3-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-5-carboxylic acid
SMILESCN1CC(n2cnc3ccc(C(=O)O)cc32)CCC1=O
InChIInChI=1S/C14H15N3O3/c1-16-7-10(3-5-13(16)18)17-8-15-11-4-2-9(14(19)20)6-12(11)17/h2,4,6,8,10H,3,5,7H2,1H3,(H,19,20)
InChIKeyKVTGQSUYFPMINB-UHFFFAOYSA-N
XLogP1.53
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-5-carboxylic acid?
The IUPAC name of 3-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-5-carboxylic acid (CID 82790720) is 3-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 3-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-5-carboxylic acid is CN1CC(n2cnc3ccc(C(=O)O)cc32)CCC1=O.
What is the InChIKey of 3-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-5-carboxylic acid?
The InChIKey is KVTGQSUYFPMINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-16-7-10(3-5-13(16)18)17-8-15-11-4-2-9(14(19)20)6-12(11)17/h2,4,6,8,10H,3,5,7H2,1H3,(H,19,20).
What are the key properties of 3-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-5-carboxylic acid?
3-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-5-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82790720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).