1-(2,7-diazaspiro[4.5]decan-7-yl)-7-[1-(methylcarbamoyl)piperidin-4-yl]-5H-pyrido[4,3-b]indole-4-carboxamide

C27H35N7O2 — CID 134534066

About 1-(2,7-diazaspiro[4.5]decan-7-yl)-7-[1-(methylcarbamoyl)piperidin-4-yl]-5H-pyrido[4,3-b]indole-4-carboxamide

1-(2,7-diazaspiro[4.5]decan-7-yl)-7-[1-(methylcarbamoyl)piperidin-4-yl]-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 134534066) has the molecular formula C27H35N7O2 and a molecular weight of 489.62 g/mol. Its IUPAC name is 1-(2,7-diazaspiro[4.5]decan-7-yl)-7-[1-(methylcarbamoyl)piperidin-4-yl]-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

• Compound Name: 1-(2,7-diazaspiro[4.5]decan-7-yl)-7-[1-(methylcarbamoyl)piperidin-4-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
• PubChem CID: 134534066
• Molecular Formula: C27H35N7O2
• Molecular Weight: 489.62 g/mol
• Exact Mass: 489.29
• IUPAC Name: 1-(2,7-diazaspiro[4.5]decan-7-yl)-7-[1-(methylcarbamoyl)piperidin-4-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
• SMILES: CNC(=O)N1CCC(c2ccc3c(c2)[nH]c2c(C(N)=O)cnc(N4CCCC5(CCNC5)C4)c23)CC1
• InChI: InChI=1S/C27H35N7O2/c1-29-26(36)33-11-5-17(6-12-33)18-3-4-19-21(13-18)32-23-20(24(28)35)14-31-25(22(19)23)34-10-2-7-27(16-34)8-9-30-15-27/h3-4,13-14,17,30,32H,2,5-12,15-16H2,1H3,(H2,28,35)(H,29,36)
• InChIKey: QLSJXFVMBXTLEJ-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 119.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.62
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2,7-diazaspiro[4.5]decan-7-yl)-7-[1-(methylcarbamoyl)piperidin-4-yl]-5H-pyrido[4,3-b]indole-4-carboxamide?

The IUPAC name of 1-(2,7-diazaspiro[4.5]decan-7-yl)-7-[1-(methylcarbamoyl)piperidin-4-yl]-5H-pyrido[4,3-b]indole-4-carboxamide (CID 134534066) is 1-(2,7-diazaspiro[4.5]decan-7-yl)-7-[1-(methylcarbamoyl)piperidin-4-yl]-5H-pyrido[4,3-b]indole-4-carboxamide.

What is the SMILES notation for 1-(2,7-diazaspiro[4.5]decan-7-yl)-7-[1-(methylcarbamoyl)piperidin-4-yl]-5H-pyrido[4,3-b]indole-4-carboxamide?

The canonical SMILES for 1-(2,7-diazaspiro[4.5]decan-7-yl)-7-[1-(methylcarbamoyl)piperidin-4-yl]-5H-pyrido[4,3-b]indole-4-carboxamide is CNC(=O)N1CCC(c2ccc3c(c2)[nH]c2c(C(N)=O)cnc(N4CCCC5(CCNC5)C4)c23)CC1.

What is the InChIKey of 1-(2,7-diazaspiro[4.5]decan-7-yl)-7-[1-(methylcarbamoyl)piperidin-4-yl]-5H-pyrido[4,3-b]indole-4-carboxamide?

The InChIKey is QLSJXFVMBXTLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O2/c1-29-26(36)33-11-5-17(6-12-33)18-3-4-19-21(13-18)32-23-20(24(28)35)14-31-25(22(19)23)34-10-2-7-27(16-34)8-9-30-15-27/h3-4,13-14,17,30,32H,2,5-12,15-16H2,1H3,(H2,28,35)(H,29,36).

What are the key properties of 1-(2,7-diazaspiro[4.5]decan-7-yl)-7-[1-(methylcarbamoyl)piperidin-4-yl]-5H-pyrido[4,3-b]indole-4-carboxamide?

1-(2,7-diazaspiro[4.5]decan-7-yl)-7-[1-(methylcarbamoyl)piperidin-4-yl]-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 489.62 g/mol, XLogP of 2.91, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,7-diazaspiro[4.5]decan-7-yl)-7-[1-(methylcarbamoyl)piperidin-4-yl]-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 134534066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).