1-[1-[2-[6-(cyclopropylmethoxy)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]indol-3-yl]ethanone

C24H32N2O2 — CID 71175829

IUPAC1-[1-[2-[6-(cyclopropylmethoxy)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]indol-3-yl]ethanone
SMILESCC(=O)c1cn(CCN2CCCC3CC(OCC4CC4)CC32)c2ccccc12
InChIInChI=1S/C24H32N2O2/c1-17(27)22-15-26(23-7-3-2-6-21(22)23)12-11-25-10-4-5-19-13-20(14-24(19)25)28-16-18-8-9-18/h2-3,6-7,15,18-20,24H,4-5,8-14,16H2,1H3
InChIKeyCLBDOPZSMQGAOZ-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.51
Rot. Bonds7

About 1-[1-[2-[6-(cyclopropylmethoxy)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]indol-3-yl]ethanone

1-[1-[2-[6-(cyclopropylmethoxy)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]indol-3-yl]ethanone (PubChem CID 71175829) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 1-[1-[2-[6-(cyclopropylmethoxy)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[2-[6-(cyclopropylmethoxy)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]indol-3-yl]ethanone
PubChem CID71175829
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name1-[1-[2-[6-(cyclopropylmethoxy)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]indol-3-yl]ethanone
SMILESCC(=O)c1cn(CCN2CCCC3CC(OCC4CC4)CC32)c2ccccc12
InChIInChI=1S/C24H32N2O2/c1-17(27)22-15-26(23-7-3-2-6-21(22)23)12-11-25-10-4-5-19-13-20(14-24(19)25)28-16-18-8-9-18/h2-3,6-7,15,18-20,24H,4-5,8-14,16H2,1H3
InChIKeyCLBDOPZSMQGAOZ-UHFFFAOYSA-N
XLogP4.51
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-[2-[6-(cyclopropylmethoxy)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]indol-3-yl]ethanone 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
1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 23641881
1-[2-[6-(2-cyclopropylethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]-3-prop-1-en-2-ylindole
CID 89343538
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-acetylindol-1-yl)acetaldehyde
CID 130321343
1-[1-[4-[1-(4-fluorophenyl)azepan-4-yl]butyl]indol-3-yl]ethanone
CID 143502496
N-[1-[3-(3-acetylindol-1-yl)propyl]pyrrolidin-3-yl]acetamide
CID 69451477
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(1-prop-2-enylindol-3-yl)methanone
CID 71886045
methyl 1-(cyclohexylmethyl)indole-3-carboxylate
CID 124518894
(1R,3S,5R)-2-[2-(3-acetylindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.2.0]heptane-3-carboxamide
CID 163614805
3-(3-acetylindol-1-yl)-N-(1-methylpyrazol-4-yl)propanamide
CID 56762237

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[6-(cyclopropylmethoxy)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]indol-3-yl]ethanone?
The IUPAC name of 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) is 1-[1-[2-[6-(cyclopropylmethoxy)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]indol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[2-[6-(cyclopropylmethoxy)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]indol-3-yl]ethanone?
The canonical SMILES for 1-[1-[2-[6-(cyclopropylmethoxy)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]indol-3-yl]ethanone is CC(=O)c1cn(CCN2CCCC3CC(OCC4CC4)CC32)c2ccccc12.
What is the InChIKey of 1-[1-[2-[6-(cyclopropylmethoxy)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]indol-3-yl]ethanone?
The InChIKey is CLBDOPZSMQGAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-17(27)22-15-26(23-7-3-2-6-21(22)23)12-11-25-10-4-5-19-13-20(14-24(19)25)28-16-18-8-9-18/h2-3,6-7,15,18-20,24H,4-5,8-14,16H2,1H3.
What are the key properties of 1-[1-[2-[6-(cyclopropylmethoxy)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]indol-3-yl]ethanone?
1-[1-[2-[6-(cyclopropylmethoxy)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]indol-3-yl]ethanone has a molecular weight of 380.53 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[6-(cyclopropylmethoxy)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]indol-3-yl]ethanone is sourced from PubChem (CID 71175829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).