1-[2-[methyl-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid

C18H22N4O5 — CID 120525541

IUPAC1-[2-[methyl-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)c1ccc2[nH]c(=O)n(C)c2c1
InChIInChI=1S/C18H22N4O5/c1-20(10-15(23)22-7-5-11(6-8-22)17(25)26)16(24)12-3-4-13-14(9-12)21(2)18(27)19-13/h3-4,9,11H,5-8,10H2,1-2H3,(H,19,27)(H,25,26)
InChIKeyYZBWTUVDFQHCAA-UHFFFAOYSA-N
MW374.40 g/mol
LogP0.26
Rot. Bonds4

About 1-[2-[methyl-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid

1-[2-[methyl-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 120525541) has the molecular formula C18H22N4O5 and a molecular weight of 374.40 g/mol. Its IUPAC name is 1-[2-[methyl-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[methyl-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
PubChem CID120525541
Molecular FormulaC18H22N4O5
Molecular Weight374.40 g/mol
Exact Mass374.16
IUPAC Name1-[2-[methyl-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)c1ccc2[nH]c(=O)n(C)c2c1
InChIInChI=1S/C18H22N4O5/c1-20(10-15(23)22-7-5-11(6-8-22)17(25)26)16(24)12-3-4-13-14(9-12)21(2)18(27)19-13/h3-4,9,11H,5-8,10H2,1-2H3,(H,19,27)(H,25,26)
InChIKeyYZBWTUVDFQHCAA-UHFFFAOYSA-N
XLogP0.26
TPSA115.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[methyl-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid (CID 120525541) is 1-[2-[methyl-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[methyl-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[methyl-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid is CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)c1ccc2[nH]c(=O)n(C)c2c1.
What is the InChIKey of 1-[2-[methyl-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is YZBWTUVDFQHCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5/c1-20(10-15(23)22-7-5-11(6-8-22)17(25)26)16(24)12-3-4-13-14(9-12)21(2)18(27)19-13/h3-4,9,11H,5-8,10H2,1-2H3,(H,19,27)(H,25,26).
What are the key properties of 1-[2-[methyl-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid?
1-[2-[methyl-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 374.40 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 120525541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).