5-methyl-1-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)piperidine-3-carboxylic acid

C16H19N3O4 — CID 122117261

IUPAC5-methyl-1-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1
InChIInChI=1S/C16H19N3O4/c1-9-5-11(15(21)22)8-19(7-9)14(20)10-3-4-12-13(6-10)18(2)16(23)17-12/h3-4,6,9,11H,5,7-8H2,1-2H3,(H,17,23)(H,21,22)
InChIKeyIUDCHTCZPZSAKM-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.05
Rot. Bonds2

About 5-methyl-1-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)piperidine-3-carboxylic acid

5-methyl-1-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)piperidine-3-carboxylic acid (PubChem CID 122117261) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 5-methyl-1-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)piperidine-3-carboxylic acid
PubChem CID122117261
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name5-methyl-1-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1
InChIInChI=1S/C16H19N3O4/c1-9-5-11(15(21)22)8-19(7-9)14(20)10-3-4-12-13(6-10)18(2)16(23)17-12/h3-4,6,9,11H,5,7-8H2,1-2H3,(H,17,23)(H,21,22)
InChIKeyIUDCHTCZPZSAKM-UHFFFAOYSA-N
XLogP1.05
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylbenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119496
1-[2-[methyl-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 120525541
5-[(3S)-3-aminopiperidine-1-carbonyl]-3-methyl-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid
CID 155955456
1-(1,3-dihydro-2-benzofuran-5-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118428
1-(1-benzothiophene-5-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118282
5-methyl-1-(4-methylsulfanylbenzoyl)piperidine-3-carboxylic acid
CID 122119170
5-methyl-1-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 122118829
1-(3,4-dipropoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119202
5-methyl-1-(quinoline-6-carbonyl)piperidine-3-carboxylic acid
CID 122117740
3-methyl-5-(2-methyl-2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-benzimidazol-2-one
CID 138035808
1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122119284
5-methyl-1-(4-nitrobenzoyl)piperidine-3-carboxylic acid
CID 122119619

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)piperidine-3-carboxylic acid (CID 122117261) is 5-methyl-1-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1.
What is the InChIKey of 5-methyl-1-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is IUDCHTCZPZSAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-9-5-11(15(21)22)8-19(7-9)14(20)10-3-4-12-13(6-10)18(2)16(23)17-12/h3-4,6,9,11H,5,7-8H2,1-2H3,(H,17,23)(H,21,22).
What are the key properties of 5-methyl-1-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)piperidine-3-carboxylic acid?
5-methyl-1-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 317.35 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122117261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).