1'-[3-(piperidine-1-carbonyl)pyrazine-2-carbonyl]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

C32H35N5O4 — CID 131931284

About 1'-[3-(piperidine-1-carbonyl)pyrazine-2-carbonyl]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-(piperidine-1-carbonyl)pyrazine-2-carbonyl]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 131931284) has the molecular formula C32H35N5O4 and a molecular weight of 553.66 g/mol. Its IUPAC name is 1'-[3-(piperidine-1-carbonyl)pyrazine-2-carbonyl]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-(piperidine-1-carbonyl)pyrazine-2-carbonyl]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: 131931284
• Molecular Formula: C32H35N5O4
• Molecular Weight: 553.66 g/mol
• Exact Mass: 553.27
• IUPAC Name: 1'-[3-(piperidine-1-carbonyl)pyrazine-2-carbonyl]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: O=C(c1nccnc1C(=O)N1CCC2(CC1)Cc1cccc(c1)Oc1cccc(c1)CCNC2=O)N1CCCCC1
• InChI: InChI=1S/C32H35N5O4/c38-29(36-16-2-1-3-17-36)27-28(34-15-14-33-27)30(39)37-18-11-32(12-19-37)22-24-7-5-9-26(21-24)41-25-8-4-6-23(20-25)10-13-35-31(32)40/h4-9,14-15,20-21H,1-3,10-13,16-19,22H2,(H,35,40)
• InChIKey: SAGHDPHCRVCMPX-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 104.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.66
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1'-[3-(piperidine-1-carbonyl)pyrazine-2-carbonyl]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-(piperidine-1-carbonyl)pyrazine-2-carbonyl]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 131931284) is 1'-[3-(piperidine-1-carbonyl)pyrazine-2-carbonyl]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-(piperidine-1-carbonyl)pyrazine-2-carbonyl]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-(piperidine-1-carbonyl)pyrazine-2-carbonyl]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 O=C(c1nccnc1C(=O)N1CCC2(CC1)Cc1cccc(c1)Oc1cccc(c1)CCNC2=O)N1CCCCC1.

What is the InChIKey of 1'-[3-(piperidine-1-carbonyl)pyrazine-2-carbonyl]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 SAGHDPHCRVCMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O4/c38-29(36-16-2-1-3-17-36)27-28(34-15-14-33-27)30(39)37-18-11-32(12-19-37)22-24-7-5-9-26(21-24)41-25-8-4-6-23(20-25)10-13-35-31(32)40/h4-9,14-15,20-21H,1-3,10-13,16-19,22H2,(H,35,40).

What are the key properties of 1'-[3-(piperidine-1-carbonyl)pyrazine-2-carbonyl]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-(piperidine-1-carbonyl)pyrazine-2-carbonyl]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 553.66 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[3-(piperidine-1-carbonyl)pyrazine-2-carbonyl]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 131931284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).