1-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-4-carboxylic acid

C14H15N3O3 — CID 115543746

IUPAC1-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-4-carboxylic acid
SMILESCN1CC(n2cnc3c(C(=O)O)cccc32)CCC1=O
InChIInChI=1S/C14H15N3O3/c1-16-7-9(5-6-12(16)18)17-8-15-13-10(14(19)20)3-2-4-11(13)17/h2-4,8-9H,5-7H2,1H3,(H,19,20)
InChIKeyAZKARTHHPRVGHI-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.53
Rot. Bonds2

About 1-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-4-carboxylic acid

1-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-4-carboxylic acid (PubChem CID 115543746) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-4-carboxylic acid
PubChem CID115543746
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name1-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-4-carboxylic acid
SMILESCN1CC(n2cnc3c(C(=O)O)cccc32)CCC1=O
InChIInChI=1S/C14H15N3O3/c1-16-7-9(5-6-12(16)18)17-8-15-13-10(14(19)20)3-2-4-11(13)17/h2-4,8-9H,5-7H2,1H3,(H,19,20)
InChIKeyAZKARTHHPRVGHI-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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Related Compounds

1-(1-methylpiperidin-3-yl)benzimidazole-4-carboxylic acid
CID 115543201
1-(1-methyl-2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxylic acid
CID 115543827
3-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-5-carboxylic acid
CID 82790720
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)benzimidazole-4-carboxylic acid
CID 115543965
1-(2,4-dimethylcyclohexyl)benzimidazole-4-carboxylic acid
CID 115543686
1-(2,2-dimethylcyclohexyl)benzimidazole-4-carboxylic acid
CID 115543899
1-(2-phenylcyclopropyl)benzimidazole-4-carboxylic acid
CID 115543379
3-(1-methyl-2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxylic acid
CID 115933547
1-(4-methylpiperazin-1-yl)benzimidazole-4-carboxylic acid
CID 83019459
1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole-4-carboxylic acid
CID 114137775
3-(1-cyclopropylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid
CID 115933176
2-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 64655940

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-4-carboxylic acid?
The IUPAC name of 1-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-4-carboxylic acid (CID 115543746) is 1-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 1-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-4-carboxylic acid is CN1CC(n2cnc3c(C(=O)O)cccc32)CCC1=O.
What is the InChIKey of 1-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-4-carboxylic acid?
The InChIKey is AZKARTHHPRVGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-16-7-9(5-6-12(16)18)17-8-15-13-10(14(19)20)3-2-4-11(13)17/h2-4,8-9H,5-7H2,1H3,(H,19,20).
What are the key properties of 1-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-4-carboxylic acid?
1-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-4-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 1-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115543746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).