1'-cyclohexyl-8-[(3-methoxyphenyl)methyl]spiro[8-azabicyclo[3.2.1]octane-2,3'-pyrrolidine]-2',3,5'-trione

C24H30N2O4 — CID 110223456

IUPAC1'-cyclohexyl-8-[(3-methoxyphenyl)methyl]spiro[8-azabicyclo[3.2.1]octane-2,3'-pyrrolidine]-2',3,5'-trione
SMILESCOc1cccc(CN2C3CCC2C2(CC(=O)N(C4CCCCC4)C2=O)C(=O)C3)c1
InChIInChI=1S/C24H30N2O4/c1-30-19-9-5-6-16(12-19)15-25-18-10-11-20(25)24(21(27)13-18)14-22(28)26(23(24)29)17-7-3-2-4-8-17/h5-6,9,12,17-18,20H,2-4,7-8,10-11,13-15H2,1H3
InChIKeyAXCGONRKFKCMJZ-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.08
Rot. Bonds4

About 1'-cyclohexyl-8-[(3-methoxyphenyl)methyl]spiro[8-azabicyclo[3.2.1]octane-2,3'-pyrrolidine]-2',3,5'-trione

1'-cyclohexyl-8-[(3-methoxyphenyl)methyl]spiro[8-azabicyclo[3.2.1]octane-2,3'-pyrrolidine]-2',3,5'-trione (PubChem CID 110223456) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 1'-cyclohexyl-8-[(3-methoxyphenyl)methyl]spiro[8-azabicyclo[3.2.1]octane-2,3'-pyrrolidine]-2',3,5'-trione.

Molecular Properties

Compound Name1'-cyclohexyl-8-[(3-methoxyphenyl)methyl]spiro[8-azabicyclo[3.2.1]octane-2,3'-pyrrolidine]-2',3,5'-trione
PubChem CID110223456
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name1'-cyclohexyl-8-[(3-methoxyphenyl)methyl]spiro[8-azabicyclo[3.2.1]octane-2,3'-pyrrolidine]-2',3,5'-trione
SMILESCOc1cccc(CN2C3CCC2C2(CC(=O)N(C4CCCCC4)C2=O)C(=O)C3)c1
InChIInChI=1S/C24H30N2O4/c1-30-19-9-5-6-16(12-19)15-25-18-10-11-20(25)24(21(27)13-18)14-22(28)26(23(24)29)17-7-3-2-4-8-17/h5-6,9,12,17-18,20H,2-4,7-8,10-11,13-15H2,1H3
InChIKeyAXCGONRKFKCMJZ-UHFFFAOYSA-N
XLogP3.08
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1'-cyclohexyl-8-[(3-methoxyphenyl)methyl]spiro[8-azabicyclo[3.2.1]octane-2,3'-pyrrolidine]-2',3,5'-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (1R,2R,5S)-8-[(3-methoxyphenyl)methyl]-3-oxo-2-prop-2-enyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 95801160
methyl (1R,2R,5R)-2-(3-methoxy-3-oxopropyl)-8-[(3-methoxyphenyl)methyl]-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 98070805
(3R)-1-cyclopentyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 26334017
1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 877620
4-[(3R)-1-cyclohexyl-5-oxopyrrolidin-3-yl]-2-[(3-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 136850355
8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61233101
(1S,9R)-12-[(3-methoxyphenyl)methyl]-5-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 95857543
9-[(3-ethoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 62712156
3-cyclopentyl-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
CID 118759123
4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]azetidin-2-one
CID 10924467
(5S)-5-ethenyl-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 57242076
4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 122138322

Frequently Asked Questions

What is the IUPAC name of 1'-cyclohexyl-8-[(3-methoxyphenyl)methyl]spiro[8-azabicyclo[3.2.1]octane-2,3'-pyrrolidine]-2',3,5'-trione?
The IUPAC name of 1'-cyclohexyl-8-[(3-methoxyphenyl)methyl]spiro[8-azabicyclo[3.2.1]octane-2,3'-pyrrolidine]-2',3,5'-trione (CID 110223456) is 1'-cyclohexyl-8-[(3-methoxyphenyl)methyl]spiro[8-azabicyclo[3.2.1]octane-2,3'-pyrrolidine]-2',3,5'-trione.
What is the SMILES notation for 1'-cyclohexyl-8-[(3-methoxyphenyl)methyl]spiro[8-azabicyclo[3.2.1]octane-2,3'-pyrrolidine]-2',3,5'-trione?
The canonical SMILES for 1'-cyclohexyl-8-[(3-methoxyphenyl)methyl]spiro[8-azabicyclo[3.2.1]octane-2,3'-pyrrolidine]-2',3,5'-trione is COc1cccc(CN2C3CCC2C2(CC(=O)N(C4CCCCC4)C2=O)C(=O)C3)c1.
What is the InChIKey of 1'-cyclohexyl-8-[(3-methoxyphenyl)methyl]spiro[8-azabicyclo[3.2.1]octane-2,3'-pyrrolidine]-2',3,5'-trione?
The InChIKey is AXCGONRKFKCMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-30-19-9-5-6-16(12-19)15-25-18-10-11-20(25)24(21(27)13-18)14-22(28)26(23(24)29)17-7-3-2-4-8-17/h5-6,9,12,17-18,20H,2-4,7-8,10-11,13-15H2,1H3.
What are the key properties of 1'-cyclohexyl-8-[(3-methoxyphenyl)methyl]spiro[8-azabicyclo[3.2.1]octane-2,3'-pyrrolidine]-2',3,5'-trione?
1'-cyclohexyl-8-[(3-methoxyphenyl)methyl]spiro[8-azabicyclo[3.2.1]octane-2,3'-pyrrolidine]-2',3,5'-trione has a molecular weight of 410.51 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-cyclohexyl-8-[(3-methoxyphenyl)methyl]spiro[8-azabicyclo[3.2.1]octane-2,3'-pyrrolidine]-2',3,5'-trione is sourced from PubChem (CID 110223456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).