[7-methoxy-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone

C34H38N2O2 — CID 58968142

IUPAC[7-methoxy-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone
SMILESCOc1cccc2c(C(=O)c3ccccc3)cn(CCCN3C4CCC3CC(CCc3ccccc3)C4)c12
InChIInChI=1S/C34H38N2O2/c1-38-32-15-8-14-30-31(34(37)27-12-6-3-7-13-27)24-35(33(30)32)20-9-21-36-28-18-19-29(36)23-26(22-28)17-16-25-10-4-2-5-11-25/h2-8,10-15,24,26,28-29H,9,16-23H2,1H3
InChIKeyQVMOKYNRXFHYCF-UHFFFAOYSA-N
MW506.69 g/mol
LogP7.15
Rot. Bonds10

About [7-methoxy-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone

[7-methoxy-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone (PubChem CID 58968142) has the molecular formula C34H38N2O2 and a molecular weight of 506.69 g/mol. Its IUPAC name is [7-methoxy-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[7-methoxy-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone
PubChem CID58968142
Molecular FormulaC34H38N2O2
Molecular Weight506.69 g/mol
Exact Mass506.29
IUPAC Name[7-methoxy-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone
SMILESCOc1cccc2c(C(=O)c3ccccc3)cn(CCCN3C4CCC3CC(CCc3ccccc3)C4)c12
InChIInChI=1S/C34H38N2O2/c1-38-32-15-8-14-30-31(34(37)27-12-6-3-7-13-27)24-35(33(30)32)20-9-21-36-28-18-19-29(36)23-26(22-28)17-16-25-10-4-2-5-11-25/h2-8,10-15,24,26,28-29H,9,16-23H2,1H3
InChIKeyQVMOKYNRXFHYCF-UHFFFAOYSA-N
XLogP7.15
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.69
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [7-methoxy-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone?
The IUPAC name of [7-methoxy-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone (CID 58968142) is [7-methoxy-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone.
What is the SMILES notation for [7-methoxy-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone?
The canonical SMILES for [7-methoxy-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone is COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3C4CCC3CC(CCc3ccccc3)C4)c12.
What is the InChIKey of [7-methoxy-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone?
The InChIKey is QVMOKYNRXFHYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N2O2/c1-38-32-15-8-14-30-31(34(37)27-12-6-3-7-13-27)24-35(33(30)32)20-9-21-36-28-18-19-29(36)23-26(22-28)17-16-25-10-4-2-5-11-25/h2-8,10-15,24,26,28-29H,9,16-23H2,1H3.
What are the key properties of [7-methoxy-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone?
[7-methoxy-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone has a molecular weight of 506.69 g/mol, XLogP of 7.15, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-methoxy-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone is sourced from PubChem (CID 58968142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).