1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[2-(4-benzylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;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]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indol-3-yl]ethanone

C153H192Cl2N12O14 — CID 161059994

IUPAC1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[2-(4-benzylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;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]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indol-3-yl]ethanone
SMILESCC(=O)c1cn(CC(C)CN2C3CCC2CC(OCC2CC2)C3)c2ccccc12.CC(=O)c1cn(CCN2CCC(Cc3ccccc3)CC2)c2ccccc12.CCCCC(=O)c1cn(CCCN2CCC(C(=O)c3ccccc3)CC2)c2ccc(OC)cc12.CCCCC1CCN(CCCn2cc(C(C)=O)c3cc(OC)ccc32)CC1.COc1ccc2c(C(C)=O)cn(CCCN3C4CCC3CC(Oc3ccc(Cl)cc3)C4)c2c1.COc1ccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccc(Cl)cc4)CC3)c2c1
InChIInChI=1S/C29H36N2O3.C27H31ClN2O3.C25H29ClN2O3.C25H34N2O2.C24H28N2O.C23H34N2O2/c1-3-4-11-28(32)26-21-31(27-13-12-24(34-2)20-25(26)27)17-8-16-30-18-14-23(15-19-30)29(33)22-9-6-5-7-10-22;1-18(31)26-17-29(27-16-23(32-2)10-11-25(26)27)12-3-13-30-20-6-7-21(30)15-24(14-20)33-22-8-4-19(28)5-9-22;1-18(29)24-17-28(25-16-22(30-2)8-9-23(24)25)13-3-12-27-14-10-21(11-15-27)31-20-6-4-19(26)5-7-20;1-17(13-26-15-24(18(2)28)23-5-3-4-6-25(23)26)14-27-20-9-10-21(27)12-22(11-20)29-16-19-7-8-19;1-19(27)23-18-26(24-10-6-5-9-22(23)24)16-15-25-13-11-21(12-14-25)17-20-7-3-2-4-8-20;1-4-5-7-19-10-14-24(15-11-19)12-6-13-25-17-22(18(2)26)21-16-20(27-3)8-9-23(21)25/h5-7,9-10,12-13,20-21,23H,3-4,8,11,14-19H2,1-2H3;4-5,8-11,16-17,20-21,24H,3,6-7,12-15H2,1-2H3;4-9,16-17,21H,3,10-15H2,1-2H3;3-6,15,17,19-22H,7-14,16H2,1-2H3;2-10,18,21H,11-17H2,1H3;8-9,16-17,19H,4-7,10-15H2,1-3H3
InChIKeyUDGQQTBHQWVKHD-UHFFFAOYSA-N
MW2494.19 g/mol
LogP32.26
Rot. Bonds50

About 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[2-(4-benzylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;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]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indol-3-yl]ethanone

1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[2-(4-benzylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;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]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indol-3-yl]ethanone (PubChem CID 161059994) has the molecular formula C153H192Cl2N12O14 and a molecular weight of 2494.19 g/mol. Its IUPAC name is 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[2-(4-benzylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;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]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[2-(4-benzylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;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]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indol-3-yl]ethanone
PubChem CID161059994
Molecular FormulaC153H192Cl2N12O14
Molecular Weight2494.19 g/mol
Exact Mass2491.41
IUPAC Name1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[2-(4-benzylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;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]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indol-3-yl]ethanone
SMILESCC(=O)c1cn(CC(C)CN2C3CCC2CC(OCC2CC2)C3)c2ccccc12.CC(=O)c1cn(CCN2CCC(Cc3ccccc3)CC2)c2ccccc12.CCCCC(=O)c1cn(CCCN2CCC(C(=O)c3ccccc3)CC2)c2ccc(OC)cc12.CCCCC1CCN(CCCn2cc(C(C)=O)c3cc(OC)ccc32)CC1.COc1ccc2c(C(C)=O)cn(CCCN3C4CCC3CC(Oc3ccc(Cl)cc3)C4)c2c1.COc1ccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccc(Cl)cc4)CC3)c2c1
InChIInChI=1S/C29H36N2O3.C27H31ClN2O3.C25H29ClN2O3.C25H34N2O2.C24H28N2O.C23H34N2O2/c1-3-4-11-28(32)26-21-31(27-13-12-24(34-2)20-25(26)27)17-8-16-30-18-14-23(15-19-30)29(33)22-9-6-5-7-10-22;1-18(31)26-17-29(27-16-23(32-2)10-11-25(26)27)12-3-13-30-20-6-7-21(30)15-24(14-20)33-22-8-4-19(28)5-9-22;1-18(29)24-17-28(25-16-22(30-2)8-9-23(24)25)13-3-12-27-14-10-21(11-15-27)31-20-6-4-19(26)5-7-20;1-17(13-26-15-24(18(2)28)23-5-3-4-6-25(23)26)14-27-20-9-10-21(27)12-22(11-20)29-16-19-7-8-19;1-19(27)23-18-26(24-10-6-5-9-22(23)24)16-15-25-13-11-21(12-14-25)17-20-7-3-2-4-8-20;1-4-5-7-19-10-14-24(15-11-19)12-6-13-25-17-22(18(2)26)21-16-20(27-3)8-9-23(21)25/h5-7,9-10,12-13,20-21,23H,3-4,8,11,14-19H2,1-2H3;4-5,8-11,16-17,20-21,24H,3,6-7,12-15H2,1-2H3;4-9,16-17,21H,3,10-15H2,1-2H3;3-6,15,17,19-22H,7-14,16H2,1-2H3;2-10,18,21H,11-17H2,1H3;8-9,16-17,19H,4-7,10-15H2,1-3H3
InChIKeyUDGQQTBHQWVKHD-UHFFFAOYSA-N
XLogP32.26
TPSA233.12 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds50
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002494.19
LogP ≤ 532.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[2-(4-benzylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;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]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indol-3-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[2-(4-benzylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;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]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indol-3-yl]ethanone?
The IUPAC name of 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[2-(4-benzylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;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]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indol-3-yl]ethanone (CID 161059994) is 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[2-(4-benzylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;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]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[2-(4-benzylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;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]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indol-3-yl]ethanone?
The canonical SMILES for 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[2-(4-benzylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;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]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indol-3-yl]ethanone is CC(=O)c1cn(CC(C)CN2C3CCC2CC(OCC2CC2)C3)c2ccccc12.CC(=O)c1cn(CCN2CCC(Cc3ccccc3)CC2)c2ccccc12.CCCCC(=O)c1cn(CCCN2CCC(C(=O)c3ccccc3)CC2)c2ccc(OC)cc12.CCCCC1CCN(CCCn2cc(C(C)=O)c3cc(OC)ccc32)CC1.COc1ccc2c(C(C)=O)cn(CCCN3C4CCC3CC(Oc3ccc(Cl)cc3)C4)c2c1.COc1ccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccc(Cl)cc4)CC3)c2c1.
What is the InChIKey of 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[2-(4-benzylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;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]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indol-3-yl]ethanone?
The InChIKey is UDGQQTBHQWVKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O3.C27H31ClN2O3.C25H29ClN2O3.C25H34N2O2.C24H28N2O.C23H34N2O2/c1-3-4-11-28(32)26-21-31(27-13-12-24(34-2)20-25(26)27)17-8-16-30-18-14-23(15-19-30)29(33)22-9-6-5-7-10-22;1-18(31)26-17-29(27-16-23(32-2)10-11-25(26)27)12-3-13-30-20-6-7-21(30)15-24(14-20)33-22-8-4-19(28)5-9-22;1-18(29)24-17-28(25-16-22(30-2)8-9-23(24)25)13-3-12-27-14-10-21(11-15-27)31-20-6-4-19(26)5-7-20;1-17(13-26-15-24(18(2)28)23-5-3-4-6-25(23)26)14-27-20-9-10-21(27)12-22(11-20)29-16-19-7-8-19;1-19(27)23-18-26(24-10-6-5-9-22(23)24)16-15-25-13-11-21(12-14-25)17-20-7-3-2-4-8-20;1-4-5-7-19-10-14-24(15-11-19)12-6-13-25-17-22(18(2)26)21-16-20(27-3)8-9-23(21)25/h5-7,9-10,12-13,20-21,23H,3-4,8,11,14-19H2,1-2H3;4-5,8-11,16-17,20-21,24H,3,6-7,12-15H2,1-2H3;4-9,16-17,21H,3,10-15H2,1-2H3;3-6,15,17,19-22H,7-14,16H2,1-2H3;2-10,18,21H,11-17H2,1H3;8-9,16-17,19H,4-7,10-15H2,1-3H3.
What are the key properties of 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[2-(4-benzylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;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]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indol-3-yl]ethanone?
1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[2-(4-benzylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;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]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indol-3-yl]ethanone has a molecular weight of 2494.19 g/mol, XLogP of 32.26, 50 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[2-(4-benzylpiperidin-1-yl)ethyl]indol-3-yl]ethanone;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]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indol-3-yl]ethanone is sourced from PubChem (CID 161059994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).