1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide

C28H36N6O2 — CID 122608574

About 1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide

1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 122608574) has the molecular formula C28H36N6O2 and a molecular weight of 488.64 g/mol. Its IUPAC name is 1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

• Compound Name: 1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
• PubChem CID: 122608574
• Molecular Formula: C28H36N6O2
• Molecular Weight: 488.64 g/mol
• Exact Mass: 488.29
• IUPAC Name: 1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
• SMILES: CC(C)N1CCC(c2ccc3[nH]c4c(C(N)=O)cnc(N5CCCC6(CCNC6=O)C5)c4c3c2)CC1
• InChI: InChI=1S/C28H36N6O2/c1-17(2)33-12-6-18(7-13-33)19-4-5-22-20(14-19)23-24(32-22)21(25(29)35)15-31-26(23)34-11-3-8-28(16-34)9-10-30-27(28)36/h4-5,14-15,17-18,32H,3,6-13,16H2,1-2H3,(H2,29,35)(H,30,36)
• InChIKey: AOMQZBKRAMXYKH-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 107.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.64
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?

The IUPAC name of 1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide (CID 122608574) is 1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide.

What is the SMILES notation for 1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?

The canonical SMILES for 1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide is CC(C)N1CCC(c2ccc3[nH]c4c(C(N)=O)cnc(N5CCCC6(CCNC6=O)C5)c4c3c2)CC1.

What is the InChIKey of 1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?

The InChIKey is AOMQZBKRAMXYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O2/c1-17(2)33-12-6-18(7-13-33)19-4-5-22-20(14-19)23-24(32-22)21(25(29)35)15-31-26(23)34-11-3-8-28(16-34)9-10-30-27(28)36/h4-5,14-15,17-18,32H,3,6-13,16H2,1-2H3,(H2,29,35)(H,30,36).

What are the key properties of 1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?

1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 488.64 g/mol, XLogP of 3.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 122608574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).