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

C71H104N6O4 — CID 162141201

IUPAC1-[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
SMILESCCCCC1CCN(CCCn2cc(C(C)=O)c3ccc(OC)cc32)CC1.CCCCCC=C1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1.CCCCCCC1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1
InChIInChI=1S/C24H36N2O.C24H34N2O.C23H34N2O2/c2*1-3-4-5-6-10-21-13-17-25(18-14-21)15-9-16-26-19-23(20(2)27)22-11-7-8-12-24(22)26;1-4-5-7-19-10-14-24(15-11-19)12-6-13-25-17-22(18(2)26)21-9-8-20(27-3)16-23(21)25/h7-8,11-12,19,21H,3-6,9-10,13-18H2,1-2H3;7-8,10-12,19H,3-6,9,13-18H2,1-2H3;8-9,16-17,19H,4-7,10-15H2,1-3H3
InChIKeyZJYHUMRDXGHUAL-UHFFFAOYSA-N
MW1105.65 g/mol
LogP16.90
Rot. Bonds28

About 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

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 (PubChem CID 162141201) has the molecular formula C71H104N6O4 and a molecular weight of 1105.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID162141201
Molecular FormulaC71H104N6O4
Molecular Weight1105.65 g/mol
Exact Mass1104.81
IUPAC Name1-[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
SMILESCCCCC1CCN(CCCn2cc(C(C)=O)c3ccc(OC)cc32)CC1.CCCCCC=C1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1.CCCCCCC1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1
InChIInChI=1S/C24H36N2O.C24H34N2O.C23H34N2O2/c2*1-3-4-5-6-10-21-13-17-25(18-14-21)15-9-16-26-19-23(20(2)27)22-11-7-8-12-24(22)26;1-4-5-7-19-10-14-24(15-11-19)12-6-13-25-17-22(18(2)26)21-9-8-20(27-3)16-23(21)25/h7-8,11-12,19,21H,3-6,9-10,13-18H2,1-2H3;7-8,10-12,19H,3-6,9,13-18H2,1-2H3;8-9,16-17,19H,4-7,10-15H2,1-3H3
InChIKeyZJYHUMRDXGHUAL-UHFFFAOYSA-N
XLogP16.90
TPSA84.95 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds28
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001105.65
LogP ≤ 516.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone
CID 23641667
1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 23641881
[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone
CID 58967725
1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;[1-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]piperidin-4-yl]-phenylmethanone
CID 161223373
1-[7-bromo-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone
CID 159106019
N-[1-[3-(3-acetylindol-1-yl)propyl]pyrrolidin-3-yl]acetamide
CID 69451477
1-[1-[4-[1-(4-fluorophenyl)azepan-4-yl]butyl]indol-3-yl]ethanone
CID 143502496
1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]pentan-1-one
CID 23641669
6-methoxy-1-propylindole-3-carboxylic acid
CID 53418823
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-[6-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 58967690
1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone
CID 58967831

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCC1CCN(CCCn2cc(C(C)=O)c3ccc(OC)cc32)CC1.CCCCCC=C1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1.CCCCCCC1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1.
What is the InChIKey of 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?
The InChIKey is ZJYHUMRDXGHUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O.C24H34N2O.C23H34N2O2/c2*1-3-4-5-6-10-21-13-17-25(18-14-21)15-9-16-26-19-23(20(2)27)22-11-7-8-12-24(22)26;1-4-5-7-19-10-14-24(15-11-19)12-6-13-25-17-22(18(2)26)21-9-8-20(27-3)16-23(21)25/h7-8,11-12,19,21H,3-6,9-10,13-18H2,1-2H3;7-8,10-12,19H,3-6,9,13-18H2,1-2H3;8-9,16-17,19H,4-7,10-15H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1105.65 g/mol, XLogP of 16.90, 28 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162141201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).