1-[4-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone

C22H32N2O3 — CID 58968235

IUPAC1-[4-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone
SMILESCCCOC1CCN(CCCn2cc(C(C)=O)c3c(OC)cccc32)CC1
InChIInChI=1S/C22H32N2O3/c1-4-15-27-18-9-13-23(14-10-18)11-6-12-24-16-19(17(2)25)22-20(24)7-5-8-21(22)26-3/h5,7-8,16,18H,4,6,9-15H2,1-3H3
InChIKeyMEXKTDNORAXYNP-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.13
Rot. Bonds9

About 1-[4-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone

1-[4-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone (PubChem CID 58968235) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-[4-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone
PubChem CID58968235
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name1-[4-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone
SMILESCCCOC1CCN(CCCn2cc(C(C)=O)c3c(OC)cccc32)CC1
InChIInChI=1S/C22H32N2O3/c1-4-15-27-18-9-13-23(14-10-18)11-6-12-24-16-19(17(2)25)22-20(24)7-5-8-21(22)26-3/h5,7-8,16,18H,4,6,9-15H2,1-3H3
InChIKeyMEXKTDNORAXYNP-UHFFFAOYSA-N
XLogP4.13
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-2-one
CID 58967679
1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 23641881
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
2,2,2-trifluoro-1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 23641729
[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone
CID 58967725
1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide
CID 58968321
1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone
CID 58968072
1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone
CID 23641667
1-[7-bromo-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 58968272
1-[1-[3-[4-(2-chlorophenoxy)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;oxalic acid
CID 161294384
1-benzyl-4-methoxyindole-3-carboxylic acid
CID 23073203

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone?
The IUPAC name of 1-[4-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone (CID 58968235) is 1-[4-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone.
What is the SMILES notation for 1-[4-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone?
The canonical SMILES for 1-[4-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone is CCCOC1CCN(CCCn2cc(C(C)=O)c3c(OC)cccc32)CC1.
What is the InChIKey of 1-[4-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone?
The InChIKey is MEXKTDNORAXYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-4-15-27-18-9-13-23(14-10-18)11-6-12-24-16-19(17(2)25)22-20(24)7-5-8-21(22)26-3/h5,7-8,16,18H,4,6,9-15H2,1-3H3.
What are the key properties of 1-[4-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone?
1-[4-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone has a molecular weight of 372.51 g/mol, XLogP of 4.13, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone is sourced from PubChem (CID 58968235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).