1-[9-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carbonyl]piperidine-3-carboxamide

C22H32N4O5 — CID 155874993

About 1-[9-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carbonyl]piperidine-3-carboxamide

1-[9-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carbonyl]piperidine-3-carboxamide (PubChem CID 155874993) has the molecular formula C22H32N4O5 and a molecular weight of 432.52 g/mol. Its IUPAC name is 1-[9-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carbonyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[9-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carbonyl]piperidine-3-carboxamide
• PubChem CID: 155874993
• Molecular Formula: C22H32N4O5
• Molecular Weight: 432.52 g/mol
• Exact Mass: 432.24
• IUPAC Name: 1-[9-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carbonyl]piperidine-3-carboxamide
• SMILES: COc1ncc(CN2CCOC3(COC(C(=O)N4CCCC(C(N)=O)C4)C3)C2)cc1C
• InChI: InChI=1S/C22H32N4O5/c1-15-8-16(10-24-20(15)29-2)11-25-6-7-31-22(13-25)9-18(30-14-22)21(28)26-5-3-4-17(12-26)19(23)27/h8,10,17-18H,3-7,9,11-14H2,1-2H3,(H2,23,27)
• InChIKey: KTIWLCDYEXYZRB-UHFFFAOYSA-N
• XLogP: 0.48
• TPSA: 107.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.52
LogP ≤ 5	0.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[9-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carbonyl]piperidine-3-carboxamide?

The IUPAC name of 1-[9-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carbonyl]piperidine-3-carboxamide (CID 155874993) is 1-[9-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carbonyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-[9-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carbonyl]piperidine-3-carboxamide?

The canonical SMILES for 1-[9-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carbonyl]piperidine-3-carboxamide is COc1ncc(CN2CCOC3(COC(C(=O)N4CCCC(C(N)=O)C4)C3)C2)cc1C.

What is the InChIKey of 1-[9-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carbonyl]piperidine-3-carboxamide?

The InChIKey is KTIWLCDYEXYZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O5/c1-15-8-16(10-24-20(15)29-2)11-25-6-7-31-22(13-25)9-18(30-14-22)21(28)26-5-3-4-17(12-26)19(23)27/h8,10,17-18H,3-7,9,11-14H2,1-2H3,(H2,23,27).

What are the key properties of 1-[9-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carbonyl]piperidine-3-carboxamide?

1-[9-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carbonyl]piperidine-3-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[9-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 155874993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).