1-[1-[4-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]butyl]indol-3-yl]ethanone

C25H34N2O2 — CID 58968275

IUPAC1-[1-[4-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]butyl]indol-3-yl]ethanone
SMILESCC(=O)c1cn(CCCCN2C3CCC2CC(OCC2CC2)C3)c2ccccc12
InChIInChI=1S/C25H34N2O2/c1-18(28)24-16-26(25-7-3-2-6-23(24)25)12-4-5-13-27-20-10-11-21(27)15-22(14-20)29-17-19-8-9-19/h2-3,6-7,16,19-22H,4-5,8-15,17H2,1H3
InChIKeyLAQGQJBAROFSAL-UHFFFAOYSA-N
MW394.56 g/mol
LogP5.05
Rot. Bonds9

About 1-[1-[4-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]butyl]indol-3-yl]ethanone

1-[1-[4-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]butyl]indol-3-yl]ethanone (PubChem CID 58968275) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 1-[1-[4-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]butyl]indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[4-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]butyl]indol-3-yl]ethanone
PubChem CID58968275
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name1-[1-[4-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]butyl]indol-3-yl]ethanone
SMILESCC(=O)c1cn(CCCCN2C3CCC2CC(OCC2CC2)C3)c2ccccc12
InChIInChI=1S/C25H34N2O2/c1-18(28)24-16-26(25-7-3-2-6-23(24)25)12-4-5-13-27-20-10-11-21(27)15-22(14-20)29-17-19-8-9-19/h2-3,6-7,16,19-22H,4-5,8-15,17H2,1H3
InChIKeyLAQGQJBAROFSAL-UHFFFAOYSA-N
XLogP5.05
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[1-[4-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]butyl]indol-3-yl]ethanone with MolForge

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Related Compounds

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
1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 23641881
1-[1-[2-[6-(cyclopropylmethoxy)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]indol-3-yl]ethanone
CID 71175829
[1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone
CID 58968577
1-[1-[3-[3-(2-cyclopropylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 71175664
1-[1-[3-[3-(4-chlorocyclohexa-1,3-dien-1-yl)oxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-3-methylbutan-1-one
CID 58968107
N-[1-[3-(3-acetylindol-1-yl)propyl]pyrrolidin-3-yl]acetamide
CID 69451477
N-[(3-methylphenyl)methyl]-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide
CID 58968132
1-[7-chloro-1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone
CID 58967867
1-[1-[4-[1-(4-fluorophenyl)azepan-4-yl]butyl]indol-3-yl]ethanone
CID 143502496
2-(3-acetylindol-1-yl)acetaldehyde
CID 130321343

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]butyl]indol-3-yl]ethanone?
The IUPAC name of 1-[1-[4-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]butyl]indol-3-yl]ethanone (CID 58968275) is 1-[1-[4-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]butyl]indol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[4-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]butyl]indol-3-yl]ethanone?
The canonical SMILES for 1-[1-[4-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]butyl]indol-3-yl]ethanone is CC(=O)c1cn(CCCCN2C3CCC2CC(OCC2CC2)C3)c2ccccc12.
What is the InChIKey of 1-[1-[4-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]butyl]indol-3-yl]ethanone?
The InChIKey is LAQGQJBAROFSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-18(28)24-16-26(25-7-3-2-6-23(24)25)12-4-5-13-27-20-10-11-21(27)15-22(14-20)29-17-19-8-9-19/h2-3,6-7,16,19-22H,4-5,8-15,17H2,1H3.
What are the key properties of 1-[1-[4-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]butyl]indol-3-yl]ethanone?
1-[1-[4-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]butyl]indol-3-yl]ethanone has a molecular weight of 394.56 g/mol, XLogP of 5.05, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]butyl]indol-3-yl]ethanone is sourced from PubChem (CID 58968275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).