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

C30H31N3O — CID 70107814

IUPACN-[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-1-methyl-2-phenylindole-3-carboxamide
SMILESCn1c(-c2ccccc2)c(C(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c2ccccc21
InChIInChI=1S/C30H31N3O/c1-32-27-15-9-8-14-26(27)28(29(32)22-12-6-3-7-13-22)30(34)31-23-18-24-16-17-25(19-23)33(24)20-21-10-4-2-5-11-21/h2-15,23-25H,16-20H2,1H3,(H,31,34)/t23?,24-,25+
InChIKeyBNIMXLSYFNBGEO-QILAJZQNSA-N
MW449.60 g/mol
LogP5.77
Rot. Bonds5

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

N-[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-1-methyl-2-phenylindole-3-carboxamide (PubChem CID 70107814) has the molecular formula C30H31N3O and a molecular weight of 449.60 g/mol. Its IUPAC name is N-[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-1-methyl-2-phenylindole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-1-methyl-2-phenylindole-3-carboxamide
PubChem CID70107814
Molecular FormulaC30H31N3O
Molecular Weight449.60 g/mol
Exact Mass449.25
IUPAC NameN-[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-1-methyl-2-phenylindole-3-carboxamide
SMILESCn1c(-c2ccccc2)c(C(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c2ccccc21
InChIInChI=1S/C30H31N3O/c1-32-27-15-9-8-14-26(27)28(29(32)22-12-6-3-7-13-22)30(34)31-23-18-24-16-17-25(19-23)33(24)20-21-10-4-2-5-11-21/h2-15,23-25H,16-20H2,1H3,(H,31,34)/t23?,24-,25+
InChIKeyBNIMXLSYFNBGEO-QILAJZQNSA-N
XLogP5.77
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.60
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-1-methyl-2-phenylindole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-1-methyl-2-phenylindole-3-carboxamide?
The IUPAC name of N-[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-1-methyl-2-phenylindole-3-carboxamide (CID 70107814) is N-[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-1-methyl-2-phenylindole-3-carboxamide.
What is the SMILES notation for N-[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-1-methyl-2-phenylindole-3-carboxamide?
The canonical SMILES for N-[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-1-methyl-2-phenylindole-3-carboxamide is Cn1c(-c2ccccc2)c(C(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c2ccccc21.
What is the InChIKey of N-[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-1-methyl-2-phenylindole-3-carboxamide?
The InChIKey is BNIMXLSYFNBGEO-QILAJZQNSA-N. The full InChI is InChI=1S/C30H31N3O/c1-32-27-15-9-8-14-26(27)28(29(32)22-12-6-3-7-13-22)30(34)31-23-18-24-16-17-25(19-23)33(24)20-21-10-4-2-5-11-21/h2-15,23-25H,16-20H2,1H3,(H,31,34)/t23?,24-,25+.
What are the key properties of N-[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-1-methyl-2-phenylindole-3-carboxamide?
N-[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-1-methyl-2-phenylindole-3-carboxamide has a molecular weight of 449.60 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-1-methyl-2-phenylindole-3-carboxamide is sourced from PubChem (CID 70107814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).