ethyl 1-[4-(3-methoxybenzoyl)-8-propanoyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxylate

C27H37N3O7 — CID 71956179

About ethyl 1-[4-(3-methoxybenzoyl)-8-propanoyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxylate

ethyl 1-[4-(3-methoxybenzoyl)-8-propanoyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxylate (PubChem CID 71956179) has the molecular formula C27H37N3O7 and a molecular weight of 515.61 g/mol. Its IUPAC name is ethyl 1-[4-(3-methoxybenzoyl)-8-propanoyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-[4-(3-methoxybenzoyl)-8-propanoyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxylate
• PubChem CID: 71956179
• Molecular Formula: C27H37N3O7
• Molecular Weight: 515.61 g/mol
• Exact Mass: 515.26
• IUPAC Name: ethyl 1-[4-(3-methoxybenzoyl)-8-propanoyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxylate
• SMILES: CCOC(=O)C1CCN(C(=O)C2COC3(CCN(C(=O)CC)CC3)N2C(=O)c2cccc(OC)c2)CC1
• InChI: InChI=1S/C27H37N3O7/c1-4-23(31)28-15-11-27(12-16-28)30(24(32)20-7-6-8-21(17-20)35-3)22(18-37-27)25(33)29-13-9-19(10-14-29)26(34)36-5-2/h6-8,17,19,22H,4-5,9-16,18H2,1-3H3
• InChIKey: PKKYGMIQIPGILQ-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 105.69 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.61
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-(3-methoxybenzoyl)-8-propanoyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxylate?

The IUPAC name of ethyl 1-[4-(3-methoxybenzoyl)-8-propanoyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxylate (CID 71956179) is ethyl 1-[4-(3-methoxybenzoyl)-8-propanoyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxylate.

What is the SMILES notation for ethyl 1-[4-(3-methoxybenzoyl)-8-propanoyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxylate?

The canonical SMILES for ethyl 1-[4-(3-methoxybenzoyl)-8-propanoyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C2COC3(CCN(C(=O)CC)CC3)N2C(=O)c2cccc(OC)c2)CC1.

What is the InChIKey of ethyl 1-[4-(3-methoxybenzoyl)-8-propanoyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxylate?

The InChIKey is PKKYGMIQIPGILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O7/c1-4-23(31)28-15-11-27(12-16-28)30(24(32)20-7-6-8-21(17-20)35-3)22(18-37-27)25(33)29-13-9-19(10-14-29)26(34)36-5-2/h6-8,17,19,22H,4-5,9-16,18H2,1-3H3.

What are the key properties of ethyl 1-[4-(3-methoxybenzoyl)-8-propanoyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxylate?

ethyl 1-[4-(3-methoxybenzoyl)-8-propanoyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxylate has a molecular weight of 515.61 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-[4-(3-methoxybenzoyl)-8-propanoyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 71956179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).