1'-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]spiro[2-oxa-10-azatricyclo[12.3.1.13,7]nonadeca-1(17),3,5,7(19),14(18),15-hexaene-12,4'-piperidine]-11-one

C30H33N3O4 — CID 131927781

About 1'-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]spiro[2-oxa-10-azatricyclo[12.3.1.13,7]nonadeca-1(17),3,5,7(19),14(18),15-hexaene-12,4'-piperidine]-11-one

1'-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]spiro[2-oxa-10-azatricyclo[12.3.1.13,7]nonadeca-1(17),3,5,7(19),14(18),15-hexaene-12,4'-piperidine]-11-one (PubChem CID 131927781) has the molecular formula C30H33N3O4 and a molecular weight of 499.61 g/mol. Its IUPAC name is 1'-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]spiro[2-oxa-10-azatricyclo[12.3.1.13,7]nonadeca-1(17),3,5,7(19),14(18),15-hexaene-12,4'-piperidine]-11-one.

Molecular Properties

• Compound Name: 1'-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]spiro[2-oxa-10-azatricyclo[12.3.1.13,7]nonadeca-1(17),3,5,7(19),14(18),15-hexaene-12,4'-piperidine]-11-one
• PubChem CID: 131927781
• Molecular Formula: C30H33N3O4
• Molecular Weight: 499.61 g/mol
• Exact Mass: 499.25
• IUPAC Name: 1'-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]spiro[2-oxa-10-azatricyclo[12.3.1.13,7]nonadeca-1(17),3,5,7(19),14(18),15-hexaene-12,4'-piperidine]-11-one
• SMILES: Cc1cccc(=O)n1CCC(=O)N1CCC2(CC1)Cc1cccc(c1)Oc1cccc(c1)CCNC2=O
• InChI: InChI=1S/C30H33N3O4/c1-22-5-2-10-28(35)33(22)16-12-27(34)32-17-13-30(14-18-32)21-24-7-4-9-26(20-24)37-25-8-3-6-23(19-25)11-15-31-29(30)36/h2-10,19-20H,11-18,21H2,1H3,(H,31,36)
• InChIKey: ADHISVHONJREPP-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 80.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.61
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1'-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]spiro[2-oxa-10-azatricyclo[12.3.1.13,7]nonadeca-1(17),3,5,7(19),14(18),15-hexaene-12,4'-piperidine]-11-one?

The IUPAC name of 1'-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]spiro[2-oxa-10-azatricyclo[12.3.1.13,7]nonadeca-1(17),3,5,7(19),14(18),15-hexaene-12,4'-piperidine]-11-one (CID 131927781) is 1'-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]spiro[2-oxa-10-azatricyclo[12.3.1.13,7]nonadeca-1(17),3,5,7(19),14(18),15-hexaene-12,4'-piperidine]-11-one.

What is the SMILES notation for 1'-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]spiro[2-oxa-10-azatricyclo[12.3.1.13,7]nonadeca-1(17),3,5,7(19),14(18),15-hexaene-12,4'-piperidine]-11-one?

The canonical SMILES for 1'-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]spiro[2-oxa-10-azatricyclo[12.3.1.13,7]nonadeca-1(17),3,5,7(19),14(18),15-hexaene-12,4'-piperidine]-11-one is Cc1cccc(=O)n1CCC(=O)N1CCC2(CC1)Cc1cccc(c1)Oc1cccc(c1)CCNC2=O.

What is the InChIKey of 1'-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]spiro[2-oxa-10-azatricyclo[12.3.1.13,7]nonadeca-1(17),3,5,7(19),14(18),15-hexaene-12,4'-piperidine]-11-one?

The InChIKey is ADHISVHONJREPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O4/c1-22-5-2-10-28(35)33(22)16-12-27(34)32-17-13-30(14-18-32)21-24-7-4-9-26(20-24)37-25-8-3-6-23(19-25)11-15-31-29(30)36/h2-10,19-20H,11-18,21H2,1H3,(H,31,36).

What are the key properties of 1'-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]spiro[2-oxa-10-azatricyclo[12.3.1.13,7]nonadeca-1(17),3,5,7(19),14(18),15-hexaene-12,4'-piperidine]-11-one?

1'-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]spiro[2-oxa-10-azatricyclo[12.3.1.13,7]nonadeca-1(17),3,5,7(19),14(18),15-hexaene-12,4'-piperidine]-11-one has a molecular weight of 499.61 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]spiro[2-oxa-10-azatricyclo[12.3.1.13,7]nonadeca-1(17),3,5,7(19),14(18),15-hexaene-12,4'-piperidine]-11-one is sourced from PubChem (CID 131927781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).