4-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]butan-2-one

C26H36N2O2 — CID 58967948

IUPAC4-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]butan-2-one
SMILESCC(=O)CCc1cn(CCCN2C3CCC2CC(OCC2CC2)C3)c2ccccc12
InChIInChI=1S/C26H36N2O2/c1-19(29)7-10-21-17-27(26-6-3-2-5-25(21)26)13-4-14-28-22-11-12-23(28)16-24(15-22)30-18-20-8-9-20/h2-3,5-6,17,20,22-24H,4,7-16,18H2,1H3
InChIKeyAXXTWOPTLYRXNM-UHFFFAOYSA-N
MW408.59 g/mol
LogP4.97
Rot. Bonds10

About 4-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]butan-2-one

4-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]butan-2-one (PubChem CID 58967948) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 4-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]butan-2-one.

Molecular Properties

Compound Name4-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]butan-2-one
PubChem CID58967948
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC Name4-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]butan-2-one
SMILESCC(=O)CCc1cn(CCCN2C3CCC2CC(OCC2CC2)C3)c2ccccc12
InChIInChI=1S/C26H36N2O2/c1-19(29)7-10-21-17-27(26-6-3-2-5-25(21)26)13-4-14-28-22-11-12-23(28)16-24(15-22)30-18-20-8-9-20/h2-3,5-6,17,20,22-24H,4,7-16,18H2,1H3
InChIKeyAXXTWOPTLYRXNM-UHFFFAOYSA-N
XLogP4.97
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]butan-2-one with MolForge

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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
4-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-2-one
CID 58967679
1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone
CID 58967831
[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-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 23641881
1-[1-[3-[3-(2-cyclopropylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 71175664
3-[1-(cyclopropylmethyl)indol-3-yl]propanoic acid
CID 63937608
3-[1-(2-ethoxyethyl)indol-3-yl]propanoic acid
CID 43457264
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
2-[1-(3-ethoxypropyl)indol-3-yl]acetic acid
CID 65175428
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
(E)-3-[N-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-2-methoxyanilino]-2-methylprop-2-enal
CID 143502526

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]butan-2-one?
The IUPAC name of 4-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]butan-2-one (CID 58967948) is 4-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]butan-2-one.
What is the SMILES notation for 4-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]butan-2-one?
The canonical SMILES for 4-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]butan-2-one is CC(=O)CCc1cn(CCCN2C3CCC2CC(OCC2CC2)C3)c2ccccc12.
What is the InChIKey of 4-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]butan-2-one?
The InChIKey is AXXTWOPTLYRXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2/c1-19(29)7-10-21-17-27(26-6-3-2-5-25(21)26)13-4-14-28-22-11-12-23(28)16-24(15-22)30-18-20-8-9-20/h2-3,5-6,17,20,22-24H,4,7-16,18H2,1H3.
What are the key properties of 4-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]butan-2-one?
4-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]butan-2-one has a molecular weight of 408.59 g/mol, XLogP of 4.97, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]butan-2-one is sourced from PubChem (CID 58967948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).