1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone

C22H30N2O2 — CID 23641881

IUPAC1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone
SMILESCC(=O)c1cn(CCCN2CCC(OCC3CC3)CC2)c2ccccc12
InChIInChI=1S/C22H30N2O2/c1-17(25)21-15-24(22-6-3-2-5-20(21)22)12-4-11-23-13-9-19(10-14-23)26-16-18-7-8-18/h2-3,5-6,15,18-19H,4,7-14,16H2,1H3
InChIKeyPLEYMGVSZOFNLD-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.12
Rot. Bonds8

About 1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone

1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone (PubChem CID 23641881) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone
PubChem CID23641881
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone
SMILESCC(=O)c1cn(CCCN2CCC(OCC3CC3)CC2)c2ccccc12
InChIInChI=1S/C22H30N2O2/c1-17(25)21-15-24(22-6-3-2-5-20(21)22)12-4-11-23-13-9-19(10-14-23)26-16-18-7-8-18/h2-3,5-6,15,18-19H,4,7-14,16H2,1H3
InChIKeyPLEYMGVSZOFNLD-UHFFFAOYSA-N
XLogP4.12
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-[2-[6-(cyclopropylmethoxy)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]indol-3-yl]ethanone
CID 71175829
N-[1-[3-(3-acetylindol-1-yl)propyl]pyrrolidin-3-yl]acetamide
CID 69451477
1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one
CID 58967722
1-[6-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 58967690
4-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-2-one
CID 58967679
1-[4-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone
CID 58968235
1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone
CID 58967831
1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one
CID 159349839
4-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]butan-2-one
CID 58967948
1-[1-[4-(4-benzylpiperidin-1-yl)butyl]indol-3-yl]ethanone;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;ethyl 1-[2-(3-acetylindol-1-yl)ethyl]piperidine-4-carboxylate;ethyl 1-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]piperidine-4-carboxylate
CID 157365600
1-[1-[3-(4-butylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-(4-hexylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone
CID 162141201

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone?
The IUPAC name of 1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone (CID 23641881) is 1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone?
The canonical SMILES for 1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone is CC(=O)c1cn(CCCN2CCC(OCC3CC3)CC2)c2ccccc12.
What is the InChIKey of 1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone?
The InChIKey is PLEYMGVSZOFNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-17(25)21-15-24(22-6-3-2-5-20(21)22)12-4-11-23-13-9-19(10-14-23)26-16-18-7-8-18/h2-3,5-6,15,18-19H,4,7-14,16H2,1H3.
What are the key properties of 1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone?
1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone has a molecular weight of 354.49 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone is sourced from PubChem (CID 23641881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).