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

C127H164BrClN10O9 — CID 159106019

IUPAC1-[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
SMILESCC(=O)c1cn(CCCN2C3CCC2CC(CCc2ccccc2)C3)c2ccccc12.CCCCC1CCN(CCCn2cc(C(C)=O)c3cccc(C)c32)CC1.CCCCCC1CC2CCC(C1)N2CCCn1cc(C(C)=O)c2cccc(OC)c21.COc1cccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccccc4Cl)CC3)c12.COc1ccccc1C1CCN(CCCn2cc(C(C)=O)c3cccc(Br)c32)CC1
InChIInChI=1S/C28H34N2O.C26H38N2O2.C25H29BrN2O2.C25H29ClN2O3.C23H34N2O/c1-21(31)27-20-29(28-11-6-5-10-26(27)28)16-7-17-30-24-14-15-25(30)19-23(18-24)13-12-22-8-3-2-4-9-22;1-4-5-6-9-20-16-21-12-13-22(17-20)28(21)15-8-14-27-18-24(19(2)29)23-10-7-11-25(30-3)26(23)27;1-18(29)22-17-28(25-21(22)8-5-9-23(25)26)14-6-13-27-15-11-19(12-16-27)20-7-3-4-10-24(20)30-2;1-18(29)21-17-28(25-20(21)7-5-10-24(25)30-2)14-6-13-27-15-11-19(12-16-27)31-23-9-4-3-8-22(23)26;1-4-5-9-20-11-15-24(16-12-20)13-7-14-25-17-22(19(3)26)21-10-6-8-18(2)23(21)25/h2-6,8-11,20,23-25H,7,12-19H2,1H3;7,10-11,18,20-22H,4-6,8-9,12-17H2,1-3H3;3-5,7-10,17,19H,6,11-16H2,1-2H3;3-5,7-10,17,19H,6,11-16H2,1-2H3;6,8,10,17,20H,4-5,7,9,11-16H2,1-3H3
InChIKeyKDWZAVWRZZPGHT-UHFFFAOYSA-N
MW2090.13 g/mol
LogP28.94
Rot. Bonds41

About 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

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 (PubChem CID 159106019) has the molecular formula C127H164BrClN10O9 and a molecular weight of 2090.13 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID159106019
Molecular FormulaC127H164BrClN10O9
Molecular Weight2090.13 g/mol
Exact Mass2087.16
IUPAC Name1-[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
SMILESCC(=O)c1cn(CCCN2C3CCC2CC(CCc2ccccc2)C3)c2ccccc12.CCCCC1CCN(CCCn2cc(C(C)=O)c3cccc(C)c32)CC1.CCCCCC1CC2CCC(C1)N2CCCn1cc(C(C)=O)c2cccc(OC)c21.COc1cccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccccc4Cl)CC3)c12.COc1ccccc1C1CCN(CCCn2cc(C(C)=O)c3cccc(Br)c32)CC1
InChIInChI=1S/C28H34N2O.C26H38N2O2.C25H29BrN2O2.C25H29ClN2O3.C23H34N2O/c1-21(31)27-20-29(28-11-6-5-10-26(27)28)16-7-17-30-24-14-15-25(30)19-23(18-24)13-12-22-8-3-2-4-9-22;1-4-5-6-9-20-16-21-12-13-22(17-20)28(21)15-8-14-27-18-24(19(2)29)23-10-7-11-25(30-3)26(23)27;1-18(29)22-17-28(25-21(22)8-5-9-23(25)26)14-6-13-27-15-11-19(12-16-27)20-7-3-4-10-24(20)30-2;1-18(29)21-17-28(25-20(21)7-5-10-24(25)30-2)14-6-13-27-15-11-19(12-16-27)31-23-9-4-3-8-22(23)26;1-4-5-9-20-11-15-24(16-12-20)13-7-14-25-17-22(19(3)26)21-10-6-8-18(2)23(21)25/h2-6,8-11,20,23-25H,7,12-19H2,1H3;7,10-11,18,20-22H,4-6,8-9,12-17H2,1-3H3;3-5,7-10,17,19H,6,11-16H2,1-2H3;3-5,7-10,17,19H,6,11-16H2,1-2H3;6,8,10,17,20H,4-5,7,9,11-16H2,1-3H3
InChIKeyKDWZAVWRZZPGHT-UHFFFAOYSA-N
XLogP28.94
TPSA163.12 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds41
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002090.13
LogP ≤ 528.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

1-[6-bromo-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 161317254
1-[7-chloro-1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone
CID 58967867
bis(1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide);[1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone
CID 158140552
[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone
CID 58967725
N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide
CID 58967586
1-[6-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 58967690
1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one
CID 58967722
cyclopropyl-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]methanone;cyclopropyl-[1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]methanone;cyclopropyl-[7-methoxy-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]methanone;cyclopropyl-[7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]methanone
CID 159746093
1-[7-bromo-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 58968272
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
N-[(2-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide
CID 58968430
2,2,2-trifluoro-1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 23641729

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)c1cn(CCCN2C3CCC2CC(CCc2ccccc2)C3)c2ccccc12.CCCCC1CCN(CCCn2cc(C(C)=O)c3cccc(C)c32)CC1.CCCCCC1CC2CCC(C1)N2CCCn1cc(C(C)=O)c2cccc(OC)c21.COc1cccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccccc4Cl)CC3)c12.COc1ccccc1C1CCN(CCCn2cc(C(C)=O)c3cccc(Br)c32)CC1.
What is the InChIKey of 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?
The InChIKey is KDWZAVWRZZPGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O.C26H38N2O2.C25H29BrN2O2.C25H29ClN2O3.C23H34N2O/c1-21(31)27-20-29(28-11-6-5-10-26(27)28)16-7-17-30-24-14-15-25(30)19-23(18-24)13-12-22-8-3-2-4-9-22;1-4-5-6-9-20-16-21-12-13-22(17-20)28(21)15-8-14-27-18-24(19(2)29)23-10-7-11-25(30-3)26(23)27;1-18(29)22-17-28(25-21(22)8-5-9-23(25)26)14-6-13-27-15-11-19(12-16-27)20-7-3-4-10-24(20)30-2;1-18(29)21-17-28(25-20(21)7-5-10-24(25)30-2)14-6-13-27-15-11-19(12-16-27)31-23-9-4-3-8-22(23)26;1-4-5-9-20-11-15-24(16-12-20)13-7-14-25-17-22(19(3)26)21-10-6-8-18(2)23(21)25/h2-6,8-11,20,23-25H,7,12-19H2,1H3;7,10-11,18,20-22H,4-6,8-9,12-17H2,1-3H3;3-5,7-10,17,19H,6,11-16H2,1-2H3;3-5,7-10,17,19H,6,11-16H2,1-2H3;6,8,10,17,20H,4-5,7,9,11-16H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 2090.13 g/mol, XLogP of 28.94, 41 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159106019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).