1-[2-[methyl-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]acetyl]piperidine-4-carboxylic acid

C18H22N4O5 — CID 119235800

About 1-[2-[methyl-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]acetyl]piperidine-4-carboxylic acid

1-[2-[methyl-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 119235800) has the molecular formula C18H22N4O5 and a molecular weight of 374.40 g/mol. Its IUPAC name is 1-[2-[methyl-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

• Compound Name: 1-[2-[methyl-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]acetyl]piperidine-4-carboxylic acid
• PubChem CID: 119235800
• Molecular Formula: C18H22N4O5
• Molecular Weight: 374.40 g/mol
• Exact Mass: 374.16
• IUPAC Name: 1-[2-[methyl-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]acetyl]piperidine-4-carboxylic acid
• SMILES: Cc1ccc(-c2cc(C(=O)N(C)CC(=O)N3CCC(C(=O)O)CC3)n[nH]2)o1
• InChI: InChI=1S/C18H22N4O5/c1-11-3-4-15(27-11)13-9-14(20-19-13)17(24)21(2)10-16(23)22-7-5-12(6-8-22)18(25)26/h3-4,9,12H,5-8,10H2,1-2H3,(H,19,20)(H,25,26)
• InChIKey: XLYMGYZTZPMEFN-UHFFFAOYSA-N
• XLogP: 1.37
• TPSA: 119.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.40
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]acetyl]piperidine-4-carboxylic acid?

The IUPAC name of 1-[2-[methyl-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]acetyl]piperidine-4-carboxylic acid (CID 119235800) is 1-[2-[methyl-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]acetyl]piperidine-4-carboxylic acid.

What is the SMILES notation for 1-[2-[methyl-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]acetyl]piperidine-4-carboxylic acid?

The canonical SMILES for 1-[2-[methyl-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]acetyl]piperidine-4-carboxylic acid is Cc1ccc(-c2cc(C(=O)N(C)CC(=O)N3CCC(C(=O)O)CC3)n[nH]2)o1.

What is the InChIKey of 1-[2-[methyl-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]acetyl]piperidine-4-carboxylic acid?

The InChIKey is XLYMGYZTZPMEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5/c1-11-3-4-15(27-11)13-9-14(20-19-13)17(24)21(2)10-16(23)22-7-5-12(6-8-22)18(25)26/h3-4,9,12H,5-8,10H2,1-2H3,(H,19,20)(H,25,26).

What are the key properties of 1-[2-[methyl-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]acetyl]piperidine-4-carboxylic acid?

1-[2-[methyl-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 374.40 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[methyl-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119235800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).