2-oxo-1-(6-oxopiperidin-3-yl)-3H-benzimidazole-4-carboxylic acid

C13H13N3O4 — CID 115541492

IUPAC2-oxo-1-(6-oxopiperidin-3-yl)-3H-benzimidazole-4-carboxylic acid
SMILESO=C1CCC(n2c(=O)[nH]c3c(C(=O)O)cccc32)CN1
InChIInChI=1S/C13H13N3O4/c17-10-5-4-7(6-14-10)16-9-3-1-2-8(12(18)19)11(9)15-13(16)20/h1-3,7H,4-6H2,(H,14,17)(H,15,20)(H,18,19)
InChIKeyCWQPWHPZXVXSKF-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.48
Rot. Bonds2

About 2-oxo-1-(6-oxopiperidin-3-yl)-3H-benzimidazole-4-carboxylic acid

2-oxo-1-(6-oxopiperidin-3-yl)-3H-benzimidazole-4-carboxylic acid (PubChem CID 115541492) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-oxo-1-(6-oxopiperidin-3-yl)-3H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-(6-oxopiperidin-3-yl)-3H-benzimidazole-4-carboxylic acid
PubChem CID115541492
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name2-oxo-1-(6-oxopiperidin-3-yl)-3H-benzimidazole-4-carboxylic acid
SMILESO=C1CCC(n2c(=O)[nH]c3c(C(=O)O)cccc32)CN1
InChIInChI=1S/C13H13N3O4/c17-10-5-4-7(6-14-10)16-9-3-1-2-8(12(18)19)11(9)15-13(16)20/h1-3,7H,4-6H2,(H,14,17)(H,15,20)(H,18,19)
InChIKeyCWQPWHPZXVXSKF-UHFFFAOYSA-N
XLogP0.48
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxycyclohexyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 104966720
2,3-dioxo-1-(5-oxopyrrolidin-3-yl)-4H-quinoxaline-5-carboxylic acid
CID 106189481
5-(4-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)piperidin-2-one
CID 114041584
4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 69314248
1-(2,2-dicyclopropylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541544
2,3-dioxo-1-(oxolan-3-yl)-4H-quinoxaline-5-carboxylic acid
CID 115541574
1-(2-cyclohexylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541346
1-[(4-methylcyclohexyl)methyl]-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541480
4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 155679397
1-(5-oxopyrrolidin-3-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid
CID 106188800
2-oxo-1-pentan-3-yl-3H-benzimidazole-4-carboxylic acid
CID 113331878
2-oxo-1-(1-pyridin-4-ylethyl)-3H-benzimidazole-4-carboxylic acid
CID 115541314

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(6-oxopiperidin-3-yl)-3H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-oxo-1-(6-oxopiperidin-3-yl)-3H-benzimidazole-4-carboxylic acid (CID 115541492) is 2-oxo-1-(6-oxopiperidin-3-yl)-3H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-oxo-1-(6-oxopiperidin-3-yl)-3H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-oxo-1-(6-oxopiperidin-3-yl)-3H-benzimidazole-4-carboxylic acid is O=C1CCC(n2c(=O)[nH]c3c(C(=O)O)cccc32)CN1.
What is the InChIKey of 2-oxo-1-(6-oxopiperidin-3-yl)-3H-benzimidazole-4-carboxylic acid?
The InChIKey is CWQPWHPZXVXSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c17-10-5-4-7(6-14-10)16-9-3-1-2-8(12(18)19)11(9)15-13(16)20/h1-3,7H,4-6H2,(H,14,17)(H,15,20)(H,18,19).
What are the key properties of 2-oxo-1-(6-oxopiperidin-3-yl)-3H-benzimidazole-4-carboxylic acid?
2-oxo-1-(6-oxopiperidin-3-yl)-3H-benzimidazole-4-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(6-oxopiperidin-3-yl)-3H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115541492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).