[7-methoxy-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone

C34H38N2O2 — CID 58968152

IUPAC[7-methoxy-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone
SMILESCOc1cccc2c(C(=O)c3ccccc3)cn(CCCN3[C@@H]4CC[C@H]3CC(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/t26?,28-,29+
InChIKeyQVMOKYNRXFHYCF-CSDGHANUSA-N
MW506.69 g/mol
LogP7.15
Rot. Bonds10

About [7-methoxy-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone

[7-methoxy-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone (PubChem CID 58968152) has the molecular formula C34H38N2O2 and a molecular weight of 506.69 g/mol. Its IUPAC name is [7-methoxy-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[7-methoxy-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone
PubChem CID58968152
Molecular FormulaC34H38N2O2
Molecular Weight506.69 g/mol
Exact Mass506.29
IUPAC Name[7-methoxy-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone
SMILESCOc1cccc2c(C(=O)c3ccccc3)cn(CCCN3[C@@H]4CC[C@H]3CC(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/t26?,28-,29+
InChIKeyQVMOKYNRXFHYCF-CSDGHANUSA-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

Analyze [7-methoxy-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone with MolForge

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Launch Full Analysis

Related Compounds

Jwh 302
CID 11493740
1-(cyclohexylmethyl)-1H-indole-3-carboxylic acid 8-quinolinyl ester
CID 71711120
Unii-1U7V49ntqg
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7-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
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7-(benzyloxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 11546775
4-(2-{5-methoxy-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indol-1-yl}ethyl)morpholine
CID 24768501
4-{2-[5-(benzyloxy)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indol-1-yl]ethyl}morpholine
CID 24768502
[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[(11R)-11-cyclohexyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone
CID 11201613
[(11R)-11-cyclohexyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-[(3S)-3,4-dimethylpiperazin-1-yl]methanone
CID 46919792
[1-(Cyclohexylmethyl)-7-methoxy-1H-indol-3-yl][(3R,5S)-3,4,5-trimethyl-1-piperazinyl]methanone
CID 49862666
(1-Butyl-7-methoxyindol-3-yl)-naphthalen-1-ylmethanone
CID 71683085
N-(S)-Fenchyl-1-(2-morpholinoethyl)-7-methoxyindole-3-carboxamide
CID 11743928

Frequently Asked Questions

What is the IUPAC name of [7-methoxy-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone?
The IUPAC name of [7-methoxy-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone (CID 58968152) is [7-methoxy-1-[3-[(1R,5S)-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-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone?
The canonical SMILES for [7-methoxy-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone is COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3[C@@H]4CC[C@H]3CC(CCc3ccccc3)C4)c12.
What is the InChIKey of [7-methoxy-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone?
The InChIKey is QVMOKYNRXFHYCF-CSDGHANUSA-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/t26?,28-,29+.
What are the key properties of [7-methoxy-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone?
[7-methoxy-1-[3-[(1R,5S)-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-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone is sourced from PubChem (CID 58968152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).