1-(3H-benzimidazole-5-carbonyl)-4-methylpiperidine-2-carboxylic acid

C15H17N3O3 — CID 114421792

IUPAC1-(3H-benzimidazole-5-carbonyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)c2ccc3nc[nH]c3c2)C(C(=O)O)C1
InChIInChI=1S/C15H17N3O3/c1-9-4-5-18(13(6-9)15(20)21)14(19)10-2-3-11-12(7-10)17-8-16-11/h2-3,7-9,13H,4-6H2,1H3,(H,16,17)(H,20,21)
InChIKeyDJWHICBOTACODZ-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.89
Rot. Bonds2

About 1-(3H-benzimidazole-5-carbonyl)-4-methylpiperidine-2-carboxylic acid

1-(3H-benzimidazole-5-carbonyl)-4-methylpiperidine-2-carboxylic acid (PubChem CID 114421792) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-(3H-benzimidazole-5-carbonyl)-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3H-benzimidazole-5-carbonyl)-4-methylpiperidine-2-carboxylic acid
PubChem CID114421792
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-(3H-benzimidazole-5-carbonyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)c2ccc3nc[nH]c3c2)C(C(=O)O)C1
InChIInChI=1S/C15H17N3O3/c1-9-4-5-18(13(6-9)15(20)21)14(19)10-2-3-11-12(7-10)17-8-16-11/h2-3,7-9,13H,4-6H2,1H3,(H,16,17)(H,20,21)
InChIKeyDJWHICBOTACODZ-UHFFFAOYSA-N
XLogP1.89
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorobenzoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421672
3H-benzimidazol-5-yl-(2-methylpiperidin-1-yl)methanone
CID 18847477
1-(3H-benzimidazole-5-carbonyl)pyrrolidine-2-carboxamide
CID 43582965
1-(3-methoxybenzoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421987
1-[2-(dimethylamino)pyridine-4-carbonyl]-4-methylpiperidine-2-carboxylic acid
CID 114421473
N-(3-methylcyclopentyl)-3H-benzimidazole-5-carboxamide
CID 114549479
1-(3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63007156
3H-benzimidazol-5-yl-(2,5-dimethylmorpholin-4-yl)methanone
CID 43420928
3H-benzimidazol-5-yl-[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone
CID 95629049
3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
CID 18847527
[(3aR,6aS)-4-(3-phenyl-1H-pyrazole-5-carbonyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-(3H-benzimidazol-5-yl)methanone
CID 171674434
3H-benzimidazol-5-yl-(3,4-dimethylpiperazin-1-yl)methanone
CID 63605111

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazole-5-carbonyl)-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(3H-benzimidazole-5-carbonyl)-4-methylpiperidine-2-carboxylic acid (CID 114421792) is 1-(3H-benzimidazole-5-carbonyl)-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3H-benzimidazole-5-carbonyl)-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(3H-benzimidazole-5-carbonyl)-4-methylpiperidine-2-carboxylic acid is CC1CCN(C(=O)c2ccc3nc[nH]c3c2)C(C(=O)O)C1.
What is the InChIKey of 1-(3H-benzimidazole-5-carbonyl)-4-methylpiperidine-2-carboxylic acid?
The InChIKey is DJWHICBOTACODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-4-5-18(13(6-9)15(20)21)14(19)10-2-3-11-12(7-10)17-8-16-11/h2-3,7-9,13H,4-6H2,1H3,(H,16,17)(H,20,21).
What are the key properties of 1-(3H-benzimidazole-5-carbonyl)-4-methylpiperidine-2-carboxylic acid?
1-(3H-benzimidazole-5-carbonyl)-4-methylpiperidine-2-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazole-5-carbonyl)-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114421792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).