1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylindole-3-carboxamide;hydrochloride

C24H28ClN3O — CID 70108169

IUPAC1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylindole-3-carboxamide;hydrochloride
SMILESCN1[C@@H]2CC[C@H]1CC(NC(=O)c1c(-c3ccccc3)n(C)c3ccccc13)C2.Cl
InChIInChI=1S/C24H27N3O.ClH/c1-26-18-12-13-19(26)15-17(14-18)25-24(28)22-20-10-6-7-11-21(20)27(2)23(22)16-8-4-3-5-9-16;/h3-11,17-19H,12-15H2,1-2H3,(H,25,28);1H/t17?,18-,19+;
InChIKeyMIWQDIIOBSNJCE-HVHYJLQISA-N
MW409.96 g/mol
LogP4.62
Rot. Bonds3

About 1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylindole-3-carboxamide;hydrochloride

1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylindole-3-carboxamide;hydrochloride (PubChem CID 70108169) has the molecular formula C24H28ClN3O and a molecular weight of 409.96 g/mol. Its IUPAC name is 1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylindole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylindole-3-carboxamide;hydrochloride
PubChem CID70108169
Molecular FormulaC24H28ClN3O
Molecular Weight409.96 g/mol
Exact Mass409.19
IUPAC Name1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylindole-3-carboxamide;hydrochloride
SMILESCN1[C@@H]2CC[C@H]1CC(NC(=O)c1c(-c3ccccc3)n(C)c3ccccc13)C2.Cl
InChIInChI=1S/C24H27N3O.ClH/c1-26-18-12-13-19(26)15-17(14-18)25-24(28)22-20-10-6-7-11-21(20)27(2)23(22)16-8-4-3-5-9-16;/h3-11,17-19H,12-15H2,1-2H3,(H,25,28);1H/t17?,18-,19+;
InChIKeyMIWQDIIOBSNJCE-HVHYJLQISA-N
XLogP4.62
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.96
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylindole-3-carboxamide;hydrochloride?
The IUPAC name of 1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylindole-3-carboxamide;hydrochloride (CID 70108169) is 1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylindole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylindole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylindole-3-carboxamide;hydrochloride is CN1[C@@H]2CC[C@H]1CC(NC(=O)c1c(-c3ccccc3)n(C)c3ccccc13)C2.Cl.
What is the InChIKey of 1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylindole-3-carboxamide;hydrochloride?
The InChIKey is MIWQDIIOBSNJCE-HVHYJLQISA-N. The full InChI is InChI=1S/C24H27N3O.ClH/c1-26-18-12-13-19(26)15-17(14-18)25-24(28)22-20-10-6-7-11-21(20)27(2)23(22)16-8-4-3-5-9-16;/h3-11,17-19H,12-15H2,1-2H3,(H,25,28);1H/t17?,18-,19+;.
What are the key properties of 1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylindole-3-carboxamide;hydrochloride?
1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylindole-3-carboxamide;hydrochloride has a molecular weight of 409.96 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylindole-3-carboxamide;hydrochloride is sourced from PubChem (CID 70108169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).