4-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-2-one

C23H34N2O2 — CID 58967679

IUPAC4-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-2-one
SMILESCCCOC1CCN(CCCn2cc(CCC(C)=O)c3ccccc32)CC1
InChIInChI=1S/C23H34N2O2/c1-3-17-27-21-11-15-24(16-12-21)13-6-14-25-18-20(10-9-19(2)26)22-7-4-5-8-23(22)25/h4-5,7-8,18,21H,3,6,9-17H2,1-2H3
InChIKeyGKISKSNEYHMQRC-UHFFFAOYSA-N
MW370.54 g/mol
LogP4.44
Rot. Bonds10

About 4-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-2-one

4-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-2-one (PubChem CID 58967679) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 4-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-2-one.

Molecular Properties

Compound Name4-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-2-one
PubChem CID58967679
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name4-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-2-one
SMILESCCCOC1CCN(CCCn2cc(CCC(C)=O)c3ccccc32)CC1
InChIInChI=1S/C23H34N2O2/c1-3-17-27-21-11-15-24(16-12-21)13-6-14-25-18-20(10-9-19(2)26)22-7-4-5-8-23(22)25/h4-5,7-8,18,21H,3,6,9-17H2,1-2H3
InChIKeyGKISKSNEYHMQRC-UHFFFAOYSA-N
XLogP4.44
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]butan-2-one
CID 58967948
1-[4-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone
CID 58968235
1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 23641881
2-[3-[[(3S)-3-propoxypiperidin-1-yl]methyl]indol-1-yl]acetamide
CID 51500199
2-[1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid
CID 61493986
3-[1-(2-ethoxyethyl)indol-3-yl]propanoic acid
CID 43457264
1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one
CID 58967722
1-ethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]indole
CID 70547247
2-[1-(3-ethoxypropyl)indol-3-yl]acetic acid
CID 65175428
1-(2-methoxyethyl)-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864406
4-[1-(2-methoxyethyl)indol-3-yl]butanoic acid
CID 43246925
N,N-dimethyl-3-(1-octylindol-3-yl)propan-1-amine
CID 70686044

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-2-one?
The IUPAC name of 4-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-2-one (CID 58967679) is 4-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-2-one.
What is the SMILES notation for 4-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-2-one?
The canonical SMILES for 4-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-2-one is CCCOC1CCN(CCCn2cc(CCC(C)=O)c3ccccc32)CC1.
What is the InChIKey of 4-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-2-one?
The InChIKey is GKISKSNEYHMQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-3-17-27-21-11-15-24(16-12-21)13-6-14-25-18-20(10-9-19(2)26)22-7-4-5-8-23(22)25/h4-5,7-8,18,21H,3,6,9-17H2,1-2H3.
What are the key properties of 4-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-2-one?
4-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-2-one has a molecular weight of 370.54 g/mol, XLogP of 4.44, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-2-one is sourced from PubChem (CID 58967679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).