[1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone

C30H36N2O3 — CID 58968577

IUPAC[1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone
SMILESCOc1cccc2c(C(=O)c3ccccc3)cn(CCCN3[C@@H]4CC[C@H]3CC(OCC3CC3)C4)c12
InChIInChI=1S/C30H36N2O3/c1-34-28-10-5-9-26-27(30(33)22-7-3-2-4-8-22)19-31(29(26)28)15-6-16-32-23-13-14-24(32)18-25(17-23)35-20-21-11-12-21/h2-5,7-10,19,21,23-25H,6,11-18,20H2,1H3/t23-,24+,25?
InChIKeyVJYYVHQFWOLUJR-XMGLRAKGSA-N
MW472.63 g/mol
LogP5.69
Rot. Bonds10

About [1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone

[1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone (PubChem CID 58968577) has the molecular formula C30H36N2O3 and a molecular weight of 472.63 g/mol. Its IUPAC name is [1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone
PubChem CID58968577
Molecular FormulaC30H36N2O3
Molecular Weight472.63 g/mol
Exact Mass472.27
IUPAC Name[1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone
SMILESCOc1cccc2c(C(=O)c3ccccc3)cn(CCCN3[C@@H]4CC[C@H]3CC(OCC3CC3)C4)c12
InChIInChI=1S/C30H36N2O3/c1-34-28-10-5-9-26-27(30(33)22-7-3-2-4-8-22)19-31(29(26)28)15-6-16-32-23-13-14-24(32)18-25(17-23)35-20-21-11-12-21/h2-5,7-10,19,21,23-25H,6,11-18,20H2,1H3/t23-,24+,25?
InChIKeyVJYYVHQFWOLUJR-XMGLRAKGSA-N
XLogP5.69
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[4-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]butyl]indol-3-yl]ethanone
CID 58968275
1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone
CID 58967831
4-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]butan-2-one
CID 58967948
2-[[3-[[[7-methoxy-1-[3-[(1R,5S)-3-phenacyl-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carbonyl]amino]methyl]phenyl]methoxy]-2-oxoacetic acid
CID 143503321
N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide
CID 58967586
N-[(3E)-4-chloro-2-methylidenehexa-3,5-dienyl]-7-methoxy-1-[3-(3-phenacyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indole-3-carboxamide;methanol;oxaldehydic acid
CID 143503241
[1-[3-[4-(3-chlorophenoxy)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone
CID 58968527
1-[3-[(1R,5S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide
CID 58967930
(E)-3-[N-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-2-methoxyanilino]-2-methylprop-2-enal
CID 143502526
bis(1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide);[1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone
CID 158140552
1-[1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone
CID 58968070
[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone
CID 58967725

Frequently Asked Questions

What is the IUPAC name of [1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone?
The IUPAC name of [1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone (CID 58968577) is [1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone.
What is the SMILES notation for [1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone?
The canonical SMILES for [1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone is COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3[C@@H]4CC[C@H]3CC(OCC3CC3)C4)c12.
What is the InChIKey of [1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone?
The InChIKey is VJYYVHQFWOLUJR-XMGLRAKGSA-N. The full InChI is InChI=1S/C30H36N2O3/c1-34-28-10-5-9-26-27(30(33)22-7-3-2-4-8-22)19-31(29(26)28)15-6-16-32-23-13-14-24(32)18-25(17-23)35-20-21-11-12-21/h2-5,7-10,19,21,23-25H,6,11-18,20H2,1H3/t23-,24+,25?.
What are the key properties of [1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone?
[1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone has a molecular weight of 472.63 g/mol, XLogP of 5.69, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone is sourced from PubChem (CID 58968577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).