ethyl 2-[4-[(5S)-6-oxo-7-oxa-1-azaspiro[4.4]nonan-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate

C22H35N3O4 — CID 138542799

About ethyl 2-[4-[(5S)-6-oxo-7-oxa-1-azaspiro[4.4]nonan-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate

ethyl 2-[4-[(5S)-6-oxo-7-oxa-1-azaspiro[4.4]nonan-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate (PubChem CID 138542799) has the molecular formula C22H35N3O4 and a molecular weight of 405.54 g/mol. Its IUPAC name is ethyl 2-[4-[(5S)-6-oxo-7-oxa-1-azaspiro[4.4]nonan-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-[4-[(5S)-6-oxo-7-oxa-1-azaspiro[4.4]nonan-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
• PubChem CID: 138542799
• Molecular Formula: C22H35N3O4
• Molecular Weight: 405.54 g/mol
• Exact Mass: 405.26
• IUPAC Name: ethyl 2-[4-[(5S)-6-oxo-7-oxa-1-azaspiro[4.4]nonan-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
• SMILES: CCOC(=O)N1CCC2(CC(N3CCC(N4CCC[C@@]45CCOC5=O)CC3)C2)C1
• InChI: InChI=1S/C22H35N3O4/c1-2-28-20(27)24-12-7-21(16-24)14-18(15-21)23-10-4-17(5-11-23)25-9-3-6-22(25)8-13-29-19(22)26/h17-18H,2-16H2,1H3/t18?,21?,22-/m0/s1
• InChIKey: HNCYRZPHGYMFJG-UDJZJCJKSA-N
• XLogP: 2.24
• TPSA: 62.32 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.54
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(5S)-6-oxo-7-oxa-1-azaspiro[4.4]nonan-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate?

The IUPAC name of ethyl 2-[4-[(5S)-6-oxo-7-oxa-1-azaspiro[4.4]nonan-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate (CID 138542799) is ethyl 2-[4-[(5S)-6-oxo-7-oxa-1-azaspiro[4.4]nonan-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate.

What is the SMILES notation for ethyl 2-[4-[(5S)-6-oxo-7-oxa-1-azaspiro[4.4]nonan-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate?

The canonical SMILES for ethyl 2-[4-[(5S)-6-oxo-7-oxa-1-azaspiro[4.4]nonan-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate is CCOC(=O)N1CCC2(CC(N3CCC(N4CCC[C@@]45CCOC5=O)CC3)C2)C1.

What is the InChIKey of ethyl 2-[4-[(5S)-6-oxo-7-oxa-1-azaspiro[4.4]nonan-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate?

The InChIKey is HNCYRZPHGYMFJG-UDJZJCJKSA-N. The full InChI is InChI=1S/C22H35N3O4/c1-2-28-20(27)24-12-7-21(16-24)14-18(15-21)23-10-4-17(5-11-23)25-9-3-6-22(25)8-13-29-19(22)26/h17-18H,2-16H2,1H3/t18?,21?,22-/m0/s1.

What are the key properties of ethyl 2-[4-[(5S)-6-oxo-7-oxa-1-azaspiro[4.4]nonan-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate?

ethyl 2-[4-[(5S)-6-oxo-7-oxa-1-azaspiro[4.4]nonan-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate has a molecular weight of 405.54 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[4-[(5S)-6-oxo-7-oxa-1-azaspiro[4.4]nonan-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate is sourced from PubChem (CID 138542799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).