ethyl 2-[4-[acetyl(1,3-oxazol-5-ylmethyl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate

C21H32N4O4 — CID 126511781

About ethyl 2-[4-[acetyl(1,3-oxazol-5-ylmethyl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate

ethyl 2-[4-[acetyl(1,3-oxazol-5-ylmethyl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate (PubChem CID 126511781) has the molecular formula C21H32N4O4 and a molecular weight of 404.51 g/mol. Its IUPAC name is ethyl 2-[4-[acetyl(1,3-oxazol-5-ylmethyl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-[4-[acetyl(1,3-oxazol-5-ylmethyl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
• PubChem CID: 126511781
• Molecular Formula: C21H32N4O4
• Molecular Weight: 404.51 g/mol
• Exact Mass: 404.24
• IUPAC Name: ethyl 2-[4-[acetyl(1,3-oxazol-5-ylmethyl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
• SMILES: CCOC(=O)N1CCC2(CC(N3CCC(N(Cc4cnco4)C(C)=O)CC3)C2)C1
• InChI: InChI=1S/C21H32N4O4/c1-3-28-20(27)24-9-6-21(14-24)10-18(11-21)23-7-4-17(5-8-23)25(16(2)26)13-19-12-22-15-29-19/h12,15,17-18H,3-11,13-14H2,1-2H3
• InChIKey: IHDIFCVTKQXRAQ-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 79.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.51
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[acetyl(1,3-oxazol-5-ylmethyl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate?

The IUPAC name of ethyl 2-[4-[acetyl(1,3-oxazol-5-ylmethyl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate (CID 126511781) is ethyl 2-[4-[acetyl(1,3-oxazol-5-ylmethyl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate.

What is the SMILES notation for ethyl 2-[4-[acetyl(1,3-oxazol-5-ylmethyl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate?

The canonical SMILES for ethyl 2-[4-[acetyl(1,3-oxazol-5-ylmethyl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate is CCOC(=O)N1CCC2(CC(N3CCC(N(Cc4cnco4)C(C)=O)CC3)C2)C1.

What is the InChIKey of ethyl 2-[4-[acetyl(1,3-oxazol-5-ylmethyl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate?

The InChIKey is IHDIFCVTKQXRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O4/c1-3-28-20(27)24-9-6-21(14-24)10-18(11-21)23-7-4-17(5-8-23)25(16(2)26)13-19-12-22-15-29-19/h12,15,17-18H,3-11,13-14H2,1-2H3.

What are the key properties of ethyl 2-[4-[acetyl(1,3-oxazol-5-ylmethyl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate?

ethyl 2-[4-[acetyl(1,3-oxazol-5-ylmethyl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate has a molecular weight of 404.51 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[4-[acetyl(1,3-oxazol-5-ylmethyl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate is sourced from PubChem (CID 126511781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).