N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide

C25H27N3O2 — CID 159879013

About N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide

N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide (PubChem CID 159879013) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide
• PubChem CID: 159879013
• Molecular Formula: C25H27N3O2
• Molecular Weight: 401.51 g/mol
• Exact Mass: 401.21
• IUPAC Name: N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide
• SMILES: O=C(NCC1CC12CCN(C(=O)Cc1ccccc1)CC2)C1=Cc2cnccc2C1
• InChI: InChI=1S/C25H27N3O2/c29-23(12-18-4-2-1-3-5-18)28-10-7-25(8-11-28)15-22(25)17-27-24(30)20-13-19-6-9-26-16-21(19)14-20/h1-6,9,14,16,22H,7-8,10-13,15,17H2,(H,27,30)
• InChIKey: ZALCXEPMXWVZPY-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.51
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide?

The IUPAC name of N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide (CID 159879013) is N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide.

What is the SMILES notation for N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide?

The canonical SMILES for N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide is O=C(NCC1CC12CCN(C(=O)Cc1ccccc1)CC2)C1=Cc2cnccc2C1.

What is the InChIKey of N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide?

The InChIKey is ZALCXEPMXWVZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c29-23(12-18-4-2-1-3-5-18)28-10-7-25(8-11-28)15-22(25)17-27-24(30)20-13-19-6-9-26-16-21(19)14-20/h1-6,9,14,16,22H,7-8,10-13,15,17H2,(H,27,30).

What are the key properties of N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide?

N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide is sourced from PubChem (CID 159879013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).