N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-8-oxo-2,7-diazaspiro[4.4]nonane-2-carboxamide

C18H21FN4O2 — CID 139010935

About N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-8-oxo-2,7-diazaspiro[4.4]nonane-2-carboxamide

N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-8-oxo-2,7-diazaspiro[4.4]nonane-2-carboxamide (PubChem CID 139010935) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-8-oxo-2,7-diazaspiro[4.4]nonane-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-8-oxo-2,7-diazaspiro[4.4]nonane-2-carboxamide
• PubChem CID: 139010935
• Molecular Formula: C18H21FN4O2
• Molecular Weight: 344.39 g/mol
• Exact Mass: 344.16
• IUPAC Name: N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-8-oxo-2,7-diazaspiro[4.4]nonane-2-carboxamide
• SMILES: O=C1CC2(CCN(C(=O)NCCc3c[nH]c4cc(F)ccc34)C2)CN1
• InChI: InChI=1S/C18H21FN4O2/c19-13-1-2-14-12(9-21-15(14)7-13)3-5-20-17(25)23-6-4-18(11-23)8-16(24)22-10-18/h1-2,7,9,21H,3-6,8,10-11H2,(H,20,25)(H,22,24)
• InChIKey: CZGLCBMQTYYJDZ-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 77.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.39
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-8-oxo-2,7-diazaspiro[4.4]nonane-2-carboxamide?

The IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-8-oxo-2,7-diazaspiro[4.4]nonane-2-carboxamide (CID 139010935) is N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-8-oxo-2,7-diazaspiro[4.4]nonane-2-carboxamide.

What is the SMILES notation for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-8-oxo-2,7-diazaspiro[4.4]nonane-2-carboxamide?

The canonical SMILES for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-8-oxo-2,7-diazaspiro[4.4]nonane-2-carboxamide is O=C1CC2(CCN(C(=O)NCCc3c[nH]c4cc(F)ccc34)C2)CN1.

What is the InChIKey of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-8-oxo-2,7-diazaspiro[4.4]nonane-2-carboxamide?

The InChIKey is CZGLCBMQTYYJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c19-13-1-2-14-12(9-21-15(14)7-13)3-5-20-17(25)23-6-4-18(11-23)8-16(24)22-10-18/h1-2,7,9,21H,3-6,8,10-11H2,(H,20,25)(H,22,24).

What are the key properties of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-8-oxo-2,7-diazaspiro[4.4]nonane-2-carboxamide?

N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-8-oxo-2,7-diazaspiro[4.4]nonane-2-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-8-oxo-2,7-diazaspiro[4.4]nonane-2-carboxamide is sourced from PubChem (CID 139010935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).