N-(9H-fluoren-9-yl)-8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide

C33H32N4O2 — CID 4994522

About N-(9H-fluoren-9-yl)-8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide

N-(9H-fluoren-9-yl)-8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 4994522) has the molecular formula C33H32N4O2 and a molecular weight of 516.65 g/mol. Its IUPAC name is N-(9H-fluoren-9-yl)-8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

• Compound Name: N-(9H-fluoren-9-yl)-8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
• PubChem CID: 4994522
• Molecular Formula: C33H32N4O2
• Molecular Weight: 516.65 g/mol
• Exact Mass: 516.25
• IUPAC Name: N-(9H-fluoren-9-yl)-8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
• SMILES: O=C(NC1c2ccccc2-c2ccccc21)N1CCC2(CCN(C(=O)c3ccccc3-n3cccc3)CC2)C1
• InChI: InChI=1S/C33H32N4O2/c38-31(28-13-5-6-14-29(28)35-18-7-8-19-35)36-20-15-33(16-21-36)17-22-37(23-33)32(39)34-30-26-11-3-1-9-24(26)25-10-2-4-12-27(25)30/h1-14,18-19,30H,15-17,20-23H2,(H,34,39)
• InChIKey: QQGYZZNPAIFASF-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 57.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.65
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-9-yl)-8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide?

The IUPAC name of N-(9H-fluoren-9-yl)-8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide (CID 4994522) is N-(9H-fluoren-9-yl)-8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide.

What is the SMILES notation for N-(9H-fluoren-9-yl)-8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide?

The canonical SMILES for N-(9H-fluoren-9-yl)-8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide is O=C(NC1c2ccccc2-c2ccccc21)N1CCC2(CCN(C(=O)c3ccccc3-n3cccc3)CC2)C1.

What is the InChIKey of N-(9H-fluoren-9-yl)-8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide?

The InChIKey is QQGYZZNPAIFASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4O2/c38-31(28-13-5-6-14-29(28)35-18-7-8-19-35)36-20-15-33(16-21-36)17-22-37(23-33)32(39)34-30-26-11-3-1-9-24(26)25-10-2-4-12-27(25)30/h1-14,18-19,30H,15-17,20-23H2,(H,34,39).

What are the key properties of N-(9H-fluoren-9-yl)-8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide?

N-(9H-fluoren-9-yl)-8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 516.65 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9H-fluoren-9-yl)-8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 4994522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).