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

C29H38N6O3 — CID 122608581

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

8-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 122608581) has the molecular formula C29H38N6O3 and a molecular weight of 518.66 g/mol. Its IUPAC name is 8-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

• Compound Name: 8-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
• PubChem CID: 122608581
• Molecular Formula: C29H38N6O3
• Molecular Weight: 518.66 g/mol
• Exact Mass: 518.30
• IUPAC Name: 8-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
• SMILES: CC(C)(O)CN1CCC(c2ccc3[nH]c4c(C(N)=O)cnc(N5CCCC6(CCNC6=O)C5)c4c3c2)CC1
• InChI: InChI=1S/C29H38N6O3/c1-28(2,38)16-34-12-6-18(7-13-34)19-4-5-22-20(14-19)23-24(33-22)21(25(30)36)15-32-26(23)35-11-3-8-29(17-35)9-10-31-27(29)37/h4-5,14-15,18,33,38H,3,6-13,16-17H2,1-2H3,(H2,30,36)(H,31,37)
• InChIKey: QNYWNRMFHWZBOT-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 127.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.66
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 8-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carboxamide (CID 122608581) is 8-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carboxamide.

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

The canonical SMILES for 8-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carboxamide is CC(C)(O)CN1CCC(c2ccc3[nH]c4c(C(N)=O)cnc(N5CCCC6(CCNC6=O)C5)c4c3c2)CC1.

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

The InChIKey is QNYWNRMFHWZBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N6O3/c1-28(2,38)16-34-12-6-18(7-13-34)19-4-5-22-20(14-19)23-24(33-22)21(25(30)36)15-32-26(23)35-11-3-8-29(17-35)9-10-31-27(29)37/h4-5,14-15,18,33,38H,3,6-13,16-17H2,1-2H3,(H2,30,36)(H,31,37).

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

8-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 518.66 g/mol, XLogP of 2.87, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 122608581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).