1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone

C74H85Cl3N6O8 — CID 157321040

IUPAC1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone
SMILESCC(=O)c1cn(CCCN2CCC(Oc3ccc(Cl)cc3)CC2)c2ccccc12.COc1ccc2c(c1)c(C(C)=O)cn2CCCN1CCC(Oc2ccc(Cl)cc2)CC1.COc1cccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccc(Cl)cc4)CC3)c12
InChIInChI=1S/2C25H29ClN2O3.C24H27ClN2O2/c1-18(29)24-17-28(25-9-8-22(30-2)16-23(24)25)13-3-12-27-14-10-21(11-15-27)31-20-6-4-19(26)5-7-20;1-18(29)23-17-28(25-22(23)5-3-6-24(25)30-2)14-4-13-27-15-11-21(12-16-27)31-20-9-7-19(26)8-10-20;1-18(28)23-17-27(24-6-3-2-5-22(23)24)14-4-13-26-15-11-21(12-16-26)29-20-9-7-19(25)8-10-20/h4-9,16-17,21H,3,10-15H2,1-2H3;3,5-10,17,21H,4,11-16H2,1-2H3;2-3,5-10,17,21H,4,11-16H2,1H3
InChIKeyBEDYECSDPOZFFF-UHFFFAOYSA-N
MW1292.89 g/mol
LogP16.31
Rot. Bonds23

About 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone

1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone (PubChem CID 157321040) has the molecular formula C74H85Cl3N6O8 and a molecular weight of 1292.89 g/mol. Its IUPAC name is 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone
PubChem CID157321040
Molecular FormulaC74H85Cl3N6O8
Molecular Weight1292.89 g/mol
Exact Mass1290.55
IUPAC Name1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone
SMILESCC(=O)c1cn(CCCN2CCC(Oc3ccc(Cl)cc3)CC2)c2ccccc12.COc1ccc2c(c1)c(C(C)=O)cn2CCCN1CCC(Oc2ccc(Cl)cc2)CC1.COc1cccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccc(Cl)cc4)CC3)c12
InChIInChI=1S/2C25H29ClN2O3.C24H27ClN2O2/c1-18(29)24-17-28(25-9-8-22(30-2)16-23(24)25)13-3-12-27-14-10-21(11-15-27)31-20-6-4-19(26)5-7-20;1-18(29)23-17-28(25-22(23)5-3-6-24(25)30-2)14-4-13-27-15-11-21(12-16-27)31-20-9-7-19(26)8-10-20;1-18(28)23-17-27(24-6-3-2-5-22(23)24)14-4-13-26-15-11-21(12-16-26)29-20-9-7-19(25)8-10-20/h4-9,16-17,21H,3,10-15H2,1-2H3;3,5-10,17,21H,4,11-16H2,1-2H3;2-3,5-10,17,21H,4,11-16H2,1H3
InChIKeyBEDYECSDPOZFFF-UHFFFAOYSA-N
XLogP16.31
TPSA121.87 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds23
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001292.89
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone with MolForge

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Related Compounds

1-[1-[3-[3-(4-Chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;2,2,2-trifluoro-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone
CID 159056474
1-[1-[3-[4-(2-Chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 159342762
1-[1-[3-[4-(4-Chlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 159658562
1-[1-[3-(4-Benzoylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[5-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]indol-3-yl]ethanone;1-[1-[4-[4-(1-phenylethyl)piperazin-1-yl]butyl]indol-3-yl]ethanone;4-[1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]butan-2-one
CID 159861540
1-[1-[3-[4-(4-Chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 161081428
1-[1-[3-(4-Butylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 161165188
1-[1-[3-(4-Benzoylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[5-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;2,2,2-trifluoro-1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 161678659
1-(4-Chlorobenzyl)-3-formyl-5-(2-quinolylmethoxy)indole
CID 19097338
[1-[(4-Chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-3-yl]-phenylmethanone
CID 19097372
[2-Methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-quinolin-4-ylmethanone;[2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-quinolin-5-ylmethanone
CID 23043682
1-[1-[3-[4-(4-Chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one
CID 23641346
1-[1-[3-[3-(4-Chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one
CID 23641349

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone?
The IUPAC name of 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone (CID 157321040) is 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone?
The canonical SMILES for 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone is CC(=O)c1cn(CCCN2CCC(Oc3ccc(Cl)cc3)CC2)c2ccccc12.COc1ccc2c(c1)c(C(C)=O)cn2CCCN1CCC(Oc2ccc(Cl)cc2)CC1.COc1cccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccc(Cl)cc4)CC3)c12.
What is the InChIKey of 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone?
The InChIKey is BEDYECSDPOZFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H29ClN2O3.C24H27ClN2O2/c1-18(29)24-17-28(25-9-8-22(30-2)16-23(24)25)13-3-12-27-14-10-21(11-15-27)31-20-6-4-19(26)5-7-20;1-18(29)23-17-28(25-22(23)5-3-6-24(25)30-2)14-4-13-27-15-11-21(12-16-27)31-20-9-7-19(26)8-10-20;1-18(28)23-17-27(24-6-3-2-5-22(23)24)14-4-13-26-15-11-21(12-16-26)29-20-9-7-19(25)8-10-20/h4-9,16-17,21H,3,10-15H2,1-2H3;3,5-10,17,21H,4,11-16H2,1-2H3;2-3,5-10,17,21H,4,11-16H2,1H3.
What are the key properties of 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone?
1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone has a molecular weight of 1292.89 g/mol, XLogP of 16.31, 23 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone is sourced from PubChem (CID 157321040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).