1-(1-methylpiperidin-3-yl)benzimidazole-4-carboxylic acid

C14H17N3O2 — CID 115543201

IUPAC1-(1-methylpiperidin-3-yl)benzimidazole-4-carboxylic acid
SMILESCN1CCCC(n2cnc3c(C(=O)O)cccc32)C1
InChIInChI=1S/C14H17N3O2/c1-16-7-3-4-10(8-16)17-9-15-13-11(14(18)19)5-2-6-12(13)17/h2,5-6,9-10H,3-4,7-8H2,1H3,(H,18,19)
InChIKeyKTPQYHWSYZFMEO-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.00
Rot. Bonds2

About 1-(1-methylpiperidin-3-yl)benzimidazole-4-carboxylic acid

1-(1-methylpiperidin-3-yl)benzimidazole-4-carboxylic acid (PubChem CID 115543201) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(1-methylpiperidin-3-yl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-methylpiperidin-3-yl)benzimidazole-4-carboxylic acid
PubChem CID115543201
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-(1-methylpiperidin-3-yl)benzimidazole-4-carboxylic acid
SMILESCN1CCCC(n2cnc3c(C(=O)O)cccc32)C1
InChIInChI=1S/C14H17N3O2/c1-16-7-3-4-10(8-16)17-9-15-13-11(14(18)19)5-2-6-12(13)17/h2,5-6,9-10H,3-4,7-8H2,1H3,(H,18,19)
InChIKeyKTPQYHWSYZFMEO-UHFFFAOYSA-N
XLogP2.00
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-4-carboxylic acid
CID 115543746
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)benzimidazole-4-carboxylic acid
CID 115543965
1-(2,2-dimethylcyclohexyl)benzimidazole-4-carboxylic acid
CID 115543899
1-(2,4-dimethylcyclohexyl)benzimidazole-4-carboxylic acid
CID 115543686
1-(1-methyl-2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxylic acid
CID 115543827
1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole-4-carboxylic acid
CID 114137775
1-(4-methylpiperazin-1-yl)benzimidazole-4-carboxylic acid
CID 83019459
1-(2-phenylcyclopropyl)benzimidazole-4-carboxylic acid
CID 115543379
2-cyclopropyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid
CID 115543220
1-[(2-hydroxycyclopentyl)methyl]benzimidazole-4-carboxylic acid
CID 115543820
1-cyclobutyl-2-cyclopropylbenzimidazole-4-carboxylic acid
CID 115543497
3-(1-methylpiperidin-3-yl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 115931541

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-3-yl)benzimidazole-4-carboxylic acid?
The IUPAC name of 1-(1-methylpiperidin-3-yl)benzimidazole-4-carboxylic acid (CID 115543201) is 1-(1-methylpiperidin-3-yl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(1-methylpiperidin-3-yl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 1-(1-methylpiperidin-3-yl)benzimidazole-4-carboxylic acid is CN1CCCC(n2cnc3c(C(=O)O)cccc32)C1.
What is the InChIKey of 1-(1-methylpiperidin-3-yl)benzimidazole-4-carboxylic acid?
The InChIKey is KTPQYHWSYZFMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-16-7-3-4-10(8-16)17-9-15-13-11(14(18)19)5-2-6-12(13)17/h2,5-6,9-10H,3-4,7-8H2,1H3,(H,18,19).
What are the key properties of 1-(1-methylpiperidin-3-yl)benzimidazole-4-carboxylic acid?
1-(1-methylpiperidin-3-yl)benzimidazole-4-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-3-yl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115543201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).