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

C33H32N4O2 — CID 4994522

IUPACN-(9H-fluoren-9-yl)-8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
SMILESO=C(NC1c2ccccc2-c2ccccc21)N1CCC2(CCN(C(=O)c3ccccc3-n3cccc3)CC2)C1
InChIInChI=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)
InChIKeyQQGYZZNPAIFASF-UHFFFAOYSA-N
MW516.65 g/mol
LogP5.89
Rot. Bonds3

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 NameN-(9H-fluoren-9-yl)-8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
PubChem CID4994522
Molecular FormulaC33H32N4O2
Molecular Weight516.65 g/mol
Exact Mass516.25
IUPAC NameN-(9H-fluoren-9-yl)-8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
SMILESO=C(NC1c2ccccc2-c2ccccc21)N1CCC2(CCN(C(=O)c3ccccc3-n3cccc3)CC2)C1
InChIInChI=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)
InChIKeyQQGYZZNPAIFASF-UHFFFAOYSA-N
XLogP5.89
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.65
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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).