ethyl (6R)-6-[4-[3-(oxan-4-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate

C24H36N4O3 — CID 171849459

About ethyl (6R)-6-[4-[3-(oxan-4-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate

ethyl (6R)-6-[4-[3-(oxan-4-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate (PubChem CID 171849459) has the molecular formula C24H36N4O3 and a molecular weight of 428.58 g/mol. Its IUPAC name is ethyl (6R)-6-[4-[3-(oxan-4-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate.

Molecular Properties

• Compound Name: ethyl (6R)-6-[4-[3-(oxan-4-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
• PubChem CID: 171849459
• Molecular Formula: C24H36N4O3
• Molecular Weight: 428.58 g/mol
• Exact Mass: 428.28
• IUPAC Name: ethyl (6R)-6-[4-[3-(oxan-4-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
• SMILES: CCOC(=O)N1CC2(CC[C@@H](N3CCN(c4ncccc4C4CCOCC4)CC3)C2)C1
• InChI: InChI=1S/C24H36N4O3/c1-2-31-23(29)28-17-24(18-28)8-5-20(16-24)26-10-12-27(13-11-26)22-21(4-3-9-25-22)19-6-14-30-15-7-19/h3-4,9,19-20H,2,5-8,10-18H2,1H3/t20-/m1/s1
• InChIKey: OJTHWOJSNWHXBH-HXUWFJFHSA-N
• XLogP: 3.11
• TPSA: 58.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.58
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl (6R)-6-[4-[3-(oxan-4-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate?

The IUPAC name of ethyl (6R)-6-[4-[3-(oxan-4-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate (CID 171849459) is ethyl (6R)-6-[4-[3-(oxan-4-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate.

What is the SMILES notation for ethyl (6R)-6-[4-[3-(oxan-4-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate?

The canonical SMILES for ethyl (6R)-6-[4-[3-(oxan-4-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate is CCOC(=O)N1CC2(CC[C@@H](N3CCN(c4ncccc4C4CCOCC4)CC3)C2)C1.

What is the InChIKey of ethyl (6R)-6-[4-[3-(oxan-4-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate?

The InChIKey is OJTHWOJSNWHXBH-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H36N4O3/c1-2-31-23(29)28-17-24(18-28)8-5-20(16-24)26-10-12-27(13-11-26)22-21(4-3-9-25-22)19-6-14-30-15-7-19/h3-4,9,19-20H,2,5-8,10-18H2,1H3/t20-/m1/s1.

What are the key properties of ethyl (6R)-6-[4-[3-(oxan-4-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate?

ethyl (6R)-6-[4-[3-(oxan-4-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate has a molecular weight of 428.58 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (6R)-6-[4-[3-(oxan-4-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate is sourced from PubChem (CID 171849459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).