N-[2-(4-aminopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid

C22H31N5O9 — CID 86751129

About N-[2-(4-aminopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid

N-[2-(4-aminopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid (PubChem CID 86751129) has the molecular formula C22H31N5O9 and a molecular weight of 509.52 g/mol. Its IUPAC name is N-[2-(4-aminopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid.

Molecular Properties

• Compound Name: N-[2-(4-aminopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid
• PubChem CID: 86751129
• Molecular Formula: C22H31N5O9
• Molecular Weight: 509.52 g/mol
• Exact Mass: 509.21
• IUPAC Name: N-[2-(4-aminopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid
• SMILES: CC(C)n1nc(C(=O)NCCN2CCC(N)CC2)c2ccccc21.O=C(O)C(=O)O.O=C(O)C(=O)O
• InChI: InChI=1S/C18H27N5O.2C2H2O4/c1-13(2)23-16-6-4-3-5-15(16)17(21-23)18(24)20-9-12-22-10-7-14(19)8-11-22;2*3-1(4)2(5)6/h3-6,13-14H,7-12,19H2,1-2H3,(H,20,24);2*(H,3,4)(H,5,6)
• InChIKey: PAXJLMJWQDMNLX-UHFFFAOYSA-N
• XLogP: 0.08
• TPSA: 225.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.52
LogP ≤ 5	0.08
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid?

The IUPAC name of N-[2-(4-aminopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid (CID 86751129) is N-[2-(4-aminopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid.

What is the SMILES notation for N-[2-(4-aminopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid?

The canonical SMILES for N-[2-(4-aminopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid is CC(C)n1nc(C(=O)NCCN2CCC(N)CC2)c2ccccc21.O=C(O)C(=O)O.O=C(O)C(=O)O.

What is the InChIKey of N-[2-(4-aminopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid?

The InChIKey is PAXJLMJWQDMNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O.2C2H2O4/c1-13(2)23-16-6-4-3-5-15(16)17(21-23)18(24)20-9-12-22-10-7-14(19)8-11-22;2*3-1(4)2(5)6/h3-6,13-14H,7-12,19H2,1-2H3,(H,20,24);2*(H,3,4)(H,5,6).

What are the key properties of N-[2-(4-aminopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid?

N-[2-(4-aminopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid has a molecular weight of 509.52 g/mol, XLogP of 0.08, 5 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-aminopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid is sourced from PubChem (CID 86751129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).