About 1-N-(1-bicyclo[1.1.1]pentanyl)-4-ethyl-4-N-[[2-(methylaminomethyl)phenyl]methyl]-4-N-[2-oxo-2-[[(2R)-2-(pyridin-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl]amino]ethyl]piperidine-1,4-dicarboxamide
1-N-(1-bicyclo[1.1.1]pentanyl)-4-ethyl-4-N-[[2-(methylaminomethyl)phenyl]methyl]-4-N-[2-oxo-2-[[(2R)-2-(pyridin-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl]amino]ethyl]piperidine-1,4-dicarboxamide (PubChem CID 146612714) has the molecular formula C40H49N7O4
and a molecular weight of 691.88 g/mol. Its IUPAC name is 1-N-(1-bicyclo[1.1.1]pentanyl)-4-ethyl-4-N-[[2-(methylaminomethyl)phenyl]methyl]-4-N-[2-oxo-2-[[(2R)-2-(pyridin-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl]amino]ethyl]piperidine-1,4-dicarboxamide.
Analyze 1-N-(1-bicyclo[1.1.1]pentanyl)-4-ethyl-4-N-[[2-(methylaminomethyl)phenyl]methyl]-4-N-[2-oxo-2-[[(2R)-2-(pyridin-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl]amino]ethyl]piperidine-1,4-dicarboxamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of 1-N-(1-bicyclo[1.1.1]pentanyl)-4-ethyl-4-N-[[2-(methylaminomethyl)phenyl]methyl]-4-N-[2-oxo-2-[[(2R)-2-(pyridin-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl]amino]ethyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-(1-bicyclo[1.1.1]pentanyl)-4-ethyl-4-N-[[2-(methylaminomethyl)phenyl]methyl]-4-N-[2-oxo-2-[[(2R)-2-(pyridin-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl]amino]ethyl]piperidine-1,4-dicarboxamide (CID 146612714) is 1-N-(1-bicyclo[1.1.1]pentanyl)-4-ethyl-4-N-[[2-(methylaminomethyl)phenyl]methyl]-4-N-[2-oxo-2-[[(2R)-2-(pyridin-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl]amino]ethyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(1-bicyclo[1.1.1]pentanyl)-4-ethyl-4-N-[[2-(methylaminomethyl)phenyl]methyl]-4-N-[2-oxo-2-[[(2R)-2-(pyridin-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl]amino]ethyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-(1-bicyclo[1.1.1]pentanyl)-4-ethyl-4-N-[[2-(methylaminomethyl)phenyl]methyl]-4-N-[2-oxo-2-[[(2R)-2-(pyridin-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl]amino]ethyl]piperidine-1,4-dicarboxamide is CCC1(C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@H](C(=O)Nc2ccccn2)C3)Cc2ccccc2CNC)CCN(C(=O)NC23CC(C2)C3)CC1.
What is the InChIKey of 1-N-(1-bicyclo[1.1.1]pentanyl)-4-ethyl-4-N-[[2-(methylaminomethyl)phenyl]methyl]-4-N-[2-oxo-2-[[(2R)-2-(pyridin-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl]amino]ethyl]piperidine-1,4-dicarboxamide?
The InChIKey is GCXOPWDNWFOMLM-QNOLCNAASA-N. The full InChI is InChI=1S/C40H49N7O4/c1-3-39(13-16-46(17-14-39)38(51)45-40-21-27(22-40)23-40)37(50)47(25-30-9-5-4-8-29(30)24-41-2)26-35(48)43-33-12-11-28-18-32(19-31(28)20-33)36(49)44-34-10-6-7-15-42-34/h4-12,15,20,27,32,41H,3,13-14,16-19,21-26H2,1-2H3,(H,43,48)(H,45,51)(H,42,44,49)/t27?,32-,40?/m1/s1.
What are the key properties of 1-N-(1-bicyclo[1.1.1]pentanyl)-4-ethyl-4-N-[[2-(methylaminomethyl)phenyl]methyl]-4-N-[2-oxo-2-[[(2R)-2-(pyridin-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl]amino]ethyl]piperidine-1,4-dicarboxamide?
1-N-(1-bicyclo[1.1.1]pentanyl)-4-ethyl-4-N-[[2-(methylaminomethyl)phenyl]methyl]-4-N-[2-oxo-2-[[(2R)-2-(pyridin-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl]amino]ethyl]piperidine-1,4-dicarboxamide has a molecular weight of 691.88 g/mol, XLogP of 4.88, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-bicyclo[1.1.1]pentanyl)-4-ethyl-4-N-[[2-(methylaminomethyl)phenyl]methyl]-4-N-[2-oxo-2-[[(2R)-2-(pyridin-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl]amino]ethyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 146612714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).