6-(4-chloro-1H-indole-2-carbonyl)-N-[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-6-azaspiro[3.4]octane-7-carboxamide

C25H28ClN5O3 — CID 166840141

About 6-(4-chloro-1H-indole-2-carbonyl)-N-[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-6-azaspiro[3.4]octane-7-carboxamide

6-(4-chloro-1H-indole-2-carbonyl)-N-[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-6-azaspiro[3.4]octane-7-carboxamide (PubChem CID 166840141) has the molecular formula C25H28ClN5O3 and a molecular weight of 481.98 g/mol. Its IUPAC name is 6-(4-chloro-1H-indole-2-carbonyl)-N-[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-6-azaspiro[3.4]octane-7-carboxamide.

Molecular Properties

• Compound Name: 6-(4-chloro-1H-indole-2-carbonyl)-N-[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-6-azaspiro[3.4]octane-7-carboxamide
• PubChem CID: 166840141
• Molecular Formula: C25H28ClN5O3
• Molecular Weight: 481.98 g/mol
• Exact Mass: 481.19
• IUPAC Name: 6-(4-chloro-1H-indole-2-carbonyl)-N-[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-6-azaspiro[3.4]octane-7-carboxamide
• SMILES: N#CC(CC1CCCNC1=O)NC(=O)C1CC2(CCC2)CN1C(=O)c1cc2c(Cl)cccc2[nH]1
• InChI: InChI=1S/C25H28ClN5O3/c26-18-5-1-6-19-17(18)11-20(30-19)24(34)31-14-25(7-3-8-25)12-21(31)23(33)29-16(13-27)10-15-4-2-9-28-22(15)32/h1,5-6,11,15-16,21,30H,2-4,7-10,12,14H2,(H,28,32)(H,29,33)
• InChIKey: VQOBYTSPRCOIDH-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 118.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.98
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-1H-indole-2-carbonyl)-N-[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-6-azaspiro[3.4]octane-7-carboxamide?

The IUPAC name of 6-(4-chloro-1H-indole-2-carbonyl)-N-[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-6-azaspiro[3.4]octane-7-carboxamide (CID 166840141) is 6-(4-chloro-1H-indole-2-carbonyl)-N-[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-6-azaspiro[3.4]octane-7-carboxamide.

What is the SMILES notation for 6-(4-chloro-1H-indole-2-carbonyl)-N-[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-6-azaspiro[3.4]octane-7-carboxamide?

The canonical SMILES for 6-(4-chloro-1H-indole-2-carbonyl)-N-[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-6-azaspiro[3.4]octane-7-carboxamide is N#CC(CC1CCCNC1=O)NC(=O)C1CC2(CCC2)CN1C(=O)c1cc2c(Cl)cccc2[nH]1.

What is the InChIKey of 6-(4-chloro-1H-indole-2-carbonyl)-N-[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-6-azaspiro[3.4]octane-7-carboxamide?

The InChIKey is VQOBYTSPRCOIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O3/c26-18-5-1-6-19-17(18)11-20(30-19)24(34)31-14-25(7-3-8-25)12-21(31)23(33)29-16(13-27)10-15-4-2-9-28-22(15)32/h1,5-6,11,15-16,21,30H,2-4,7-10,12,14H2,(H,28,32)(H,29,33).

What are the key properties of 6-(4-chloro-1H-indole-2-carbonyl)-N-[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-6-azaspiro[3.4]octane-7-carboxamide?

6-(4-chloro-1H-indole-2-carbonyl)-N-[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-6-azaspiro[3.4]octane-7-carboxamide has a molecular weight of 481.98 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-chloro-1H-indole-2-carbonyl)-N-[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-6-azaspiro[3.4]octane-7-carboxamide is sourced from PubChem (CID 166840141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).