1-[(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide

C24H33N3O5 — CID 93019327

About 1-[(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide

1-[(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide (PubChem CID 93019327) has the molecular formula C24H33N3O5 and a molecular weight of 443.54 g/mol. Its IUPAC name is 1-[(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide
• PubChem CID: 93019327
• Molecular Formula: C24H33N3O5
• Molecular Weight: 443.54 g/mol
• Exact Mass: 443.24
• IUPAC Name: 1-[(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide
• SMILES: COc1cccc(C(=O)N2[C@H](C(=O)N3CCC(C(N)=O)CC3)COC23CCC(C)CC3)c1
• InChI: InChI=1S/C24H33N3O5/c1-16-6-10-24(11-7-16)27(22(29)18-4-3-5-19(14-18)31-2)20(15-32-24)23(30)26-12-8-17(9-13-26)21(25)28/h3-5,14,16-17,20H,6-13,15H2,1-2H3,(H2,25,28)/t16?,20-,24?/m0/s1
• InChIKey: PDXKCEDAWLHLLH-XUGLNINTSA-N
• XLogP: 2.17
• TPSA: 102.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.54
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide?

The IUPAC name of 1-[(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide (CID 93019327) is 1-[(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide is COc1cccc(C(=O)N2[C@H](C(=O)N3CCC(C(N)=O)CC3)COC23CCC(C)CC3)c1.

What is the InChIKey of 1-[(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide?

The InChIKey is PDXKCEDAWLHLLH-XUGLNINTSA-N. The full InChI is InChI=1S/C24H33N3O5/c1-16-6-10-24(11-7-16)27(22(29)18-4-3-5-19(14-18)31-2)20(15-32-24)23(30)26-12-8-17(9-13-26)21(25)28/h3-5,14,16-17,20H,6-13,15H2,1-2H3,(H2,25,28)/t16?,20-,24?/m0/s1.

What are the key properties of 1-[(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide?

1-[(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 443.54 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 93019327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).