tert-butyl 4-[[5-(2-methoxyethylcarbamoyl)-6-methyl-2H-inden-2-yl]methyl]piperidine-1-carboxylate

C25H36N2O4 — CID 134188626

IUPACtert-butyl 4-[[5-(2-methoxyethylcarbamoyl)-6-methyl-2H-inden-2-yl]methyl]piperidine-1-carboxylate
SMILESCOCCNC(=O)c1cc2c(cc1C)=CC(CC1CCN(C(=O)OC(C)(C)C)CC1)C=2
InChIInChI=1S/C25H36N2O4/c1-17-12-20-14-19(15-21(20)16-22(17)23(28)26-8-11-30-5)13-18-6-9-27(10-7-18)24(29)31-25(2,3)4/h12,14-16,18-19H,6-11,13H2,1-5H3,(H,26,28)
InChIKeyMMXQVFWPKWEPQD-UHFFFAOYSA-N
MW428.57 g/mol
LogP2.60
Rot. Bonds6

About tert-butyl 4-[[5-(2-methoxyethylcarbamoyl)-6-methyl-2H-inden-2-yl]methyl]piperidine-1-carboxylate

tert-butyl 4-[[5-(2-methoxyethylcarbamoyl)-6-methyl-2H-inden-2-yl]methyl]piperidine-1-carboxylate (PubChem CID 134188626) has the molecular formula C25H36N2O4 and a molecular weight of 428.57 g/mol. Its IUPAC name is tert-butyl 4-[[5-(2-methoxyethylcarbamoyl)-6-methyl-2H-inden-2-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[5-(2-methoxyethylcarbamoyl)-6-methyl-2H-inden-2-yl]methyl]piperidine-1-carboxylate
PubChem CID134188626
Molecular FormulaC25H36N2O4
Molecular Weight428.57 g/mol
Exact Mass428.27
IUPAC Nametert-butyl 4-[[5-(2-methoxyethylcarbamoyl)-6-methyl-2H-inden-2-yl]methyl]piperidine-1-carboxylate
SMILESCOCCNC(=O)c1cc2c(cc1C)=CC(CC1CCN(C(=O)OC(C)(C)C)CC1)C=2
InChIInChI=1S/C25H36N2O4/c1-17-12-20-14-19(15-21(20)16-22(17)23(28)26-8-11-30-5)13-18-6-9-27(10-7-18)24(29)31-25(2,3)4/h12,14-16,18-19H,6-11,13H2,1-5H3,(H,26,28)
InChIKeyMMXQVFWPKWEPQD-UHFFFAOYSA-N
XLogP2.60
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.57
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl 4-[[5-(2-methoxyethylcarbamoyl)-6-methyl-2H-inden-2-yl]methyl]piperidine-1-carboxylate 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

tert-butyl 4-[4-(2-methoxyethylcarbamoyl)-1-(4-methylphenyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 46280959
tert-butyl 4-[[2-(2-methoxyethoxy)ethylamino]methyl]piperidine-1-carboxylate
CID 103730211
tert-butyl 4-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]piperidine-1-carboxylate
CID 104625238
tert-butyl 4-[1-(2-chlorophenyl)-4-(2-methoxyethylcarbamoyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 46281345
tert-butyl 4-[(3-iodo-4-methylanilino)methyl]piperidine-1-carboxylate
CID 103730154
tert-butyl 4-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate
CID 2810466
tert-butyl 4-[[[N-[3-(2-methoxyethoxy)propyl]-N'-methylcarbamimidoyl]amino]methyl]piperidine-1-carboxylate
CID 111406981
tert-butyl 4-[[(2,5-dimethylpyrrol-1-yl)amino]methyl]piperidine-1-carboxylate
CID 103730296
tert-butyl 3-[[7-(2-methoxyethylcarbamoyl)-5-(propoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxymethyl]pyrrolidine-1-carboxylate;ethane;methylphosphane
CID 145183185
tert-butyl 4-(propylaminomethyl)piperidine-1-carboxylate
CID 66960433
tert-butyl 4-[2-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]piperidine-1-carboxylate
CID 178149670
tert-butyl 4-[[(5-amino-6-chloro-2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 22236490

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[5-(2-methoxyethylcarbamoyl)-6-methyl-2H-inden-2-yl]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[5-(2-methoxyethylcarbamoyl)-6-methyl-2H-inden-2-yl]methyl]piperidine-1-carboxylate (CID 134188626) is tert-butyl 4-[[5-(2-methoxyethylcarbamoyl)-6-methyl-2H-inden-2-yl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[5-(2-methoxyethylcarbamoyl)-6-methyl-2H-inden-2-yl]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[5-(2-methoxyethylcarbamoyl)-6-methyl-2H-inden-2-yl]methyl]piperidine-1-carboxylate is COCCNC(=O)c1cc2c(cc1C)=CC(CC1CCN(C(=O)OC(C)(C)C)CC1)C=2.
What is the InChIKey of tert-butyl 4-[[5-(2-methoxyethylcarbamoyl)-6-methyl-2H-inden-2-yl]methyl]piperidine-1-carboxylate?
The InChIKey is MMXQVFWPKWEPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O4/c1-17-12-20-14-19(15-21(20)16-22(17)23(28)26-8-11-30-5)13-18-6-9-27(10-7-18)24(29)31-25(2,3)4/h12,14-16,18-19H,6-11,13H2,1-5H3,(H,26,28).
What are the key properties of tert-butyl 4-[[5-(2-methoxyethylcarbamoyl)-6-methyl-2H-inden-2-yl]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[5-(2-methoxyethylcarbamoyl)-6-methyl-2H-inden-2-yl]methyl]piperidine-1-carboxylate has a molecular weight of 428.57 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[5-(2-methoxyethylcarbamoyl)-6-methyl-2H-inden-2-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 134188626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).