1-[2-[methyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]acetyl]piperidine-4-carboxylic acid

C19H25N3O5 — CID 119235812

About 1-[2-[methyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]acetyl]piperidine-4-carboxylic acid

1-[2-[methyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 119235812) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-[2-[methyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

• Compound Name: 1-[2-[methyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
• PubChem CID: 119235812
• Molecular Formula: C19H25N3O5
• Molecular Weight: 375.43 g/mol
• Exact Mass: 375.18
• IUPAC Name: 1-[2-[methyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
• SMILES: CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)c1cc2c([nH]c1=O)CCCC2
• InChI: InChI=1S/C19H25N3O5/c1-21(11-16(23)22-8-6-12(7-9-22)19(26)27)18(25)14-10-13-4-2-3-5-15(13)20-17(14)24/h10,12H,2-9,11H2,1H3,(H,20,24)(H,26,27)
• InChIKey: YNHVNFFQXDWOML-UHFFFAOYSA-N
• XLogP: 0.65
• TPSA: 110.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.43
LogP ≤ 5	0.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]acetyl]piperidine-4-carboxylic acid?

The IUPAC name of 1-[2-[methyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]acetyl]piperidine-4-carboxylic acid (CID 119235812) is 1-[2-[methyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]acetyl]piperidine-4-carboxylic acid.

What is the SMILES notation for 1-[2-[methyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]acetyl]piperidine-4-carboxylic acid?

The canonical SMILES for 1-[2-[methyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]acetyl]piperidine-4-carboxylic acid is CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)c1cc2c([nH]c1=O)CCCC2.

What is the InChIKey of 1-[2-[methyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]acetyl]piperidine-4-carboxylic acid?

The InChIKey is YNHVNFFQXDWOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-21(11-16(23)22-8-6-12(7-9-22)19(26)27)18(25)14-10-13-4-2-3-5-15(13)20-17(14)24/h10,12H,2-9,11H2,1H3,(H,20,24)(H,26,27).

What are the key properties of 1-[2-[methyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]acetyl]piperidine-4-carboxylic acid?

1-[2-[methyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 375.43 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[methyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119235812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).