6-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid

C23H30N2O3 — CID 142757368

About 6-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid

6-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid (PubChem CID 142757368) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 6-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid.

Molecular Properties

• Compound Name: 6-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid
• PubChem CID: 142757368
• Molecular Formula: C23H30N2O3
• Molecular Weight: 382.50 g/mol
• Exact Mass: 382.23
• IUPAC Name: 6-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid
• SMILES: CC(C)c1cccc(C2=CCN(C(=O)C3NCC4(CC4)CC3C(=O)O)CC2)c1
• InChI: InChI=1S/C23H30N2O3/c1-15(2)17-4-3-5-18(12-17)16-6-10-25(11-7-16)21(26)20-19(22(27)28)13-23(8-9-23)14-24-20/h3-6,12,15,19-20,24H,7-11,13-14H2,1-2H3,(H,27,28)
• InChIKey: RCASFVWJSPTQTJ-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 69.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.50
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid?

The IUPAC name of 6-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid (CID 142757368) is 6-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid.

What is the SMILES notation for 6-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid?

The canonical SMILES for 6-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid is CC(C)c1cccc(C2=CCN(C(=O)C3NCC4(CC4)CC3C(=O)O)CC2)c1.

What is the InChIKey of 6-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid?

The InChIKey is RCASFVWJSPTQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-15(2)17-4-3-5-18(12-17)16-6-10-25(11-7-16)21(26)20-19(22(27)28)13-23(8-9-23)14-24-20/h3-6,12,15,19-20,24H,7-11,13-14H2,1-2H3,(H,27,28).

What are the key properties of 6-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid?

6-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid has a molecular weight of 382.50 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid is sourced from PubChem (CID 142757368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).