1-[1-[3-(3-acetyl-7-methylindol-1-yl)propyl]piperidin-4-yl]-3H-indol-2-one;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone

C125H141Cl3N12O10 — CID 158464450

IUPAC1-[1-[3-(3-acetyl-7-methylindol-1-yl)propyl]piperidin-4-yl]-3H-indol-2-one;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone
SMILESCC(=O)c1cn(CCCN2CCC(N3C(=O)Cc4ccccc43)CC2)c2c(C)cccc12.CCc1cccc2c(C(C)=O)cn(CCCN3CCN(CCOc4ccc(Cl)c5ccccc45)CC3)c12.COc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3CCN(CCOc4ccc(Cl)c5ccccc45)CC3)c12.COc1cccc2c(C(C)=O)cn(CC(C)CN3CCN(CCOc4ccc(Cl)c5ccccc45)CC3)c12
InChIInChI=1S/C36H38ClN3O3.C31H36ClN3O3.C31H36ClN3O2.C27H31N3O2/c1-42-35-14-7-13-30-31(33(41)25-27-9-3-2-4-10-27)26-40(36(30)35)18-8-17-38-19-21-39(22-20-38)23-24-43-34-16-15-32(37)28-11-5-6-12-29(28)34;1-22(20-35-21-27(23(2)36)26-9-6-10-30(37-3)31(26)35)19-34-15-13-33(14-16-34)17-18-38-29-12-11-28(32)24-7-4-5-8-25(24)29;1-3-24-8-6-11-27-28(23(2)36)22-35(31(24)27)15-7-14-33-16-18-34(19-17-33)20-21-37-30-13-12-29(32)25-9-4-5-10-26(25)30;1-19-7-5-9-23-24(20(2)31)18-29(27(19)23)14-6-13-28-15-11-22(12-16-28)30-25-10-4-3-8-21(25)17-26(30)32/h2-7,9-16,26H,8,17-25H2,1H3;4-12,21-22H,13-20H2,1-3H3;4-6,8-13,22H,3,7,14-21H2,1-2H3;3-5,7-10,18,22H,6,11-17H2,1-2H3
InChIKeyHFOSKIGOWALNRW-UHFFFAOYSA-N
MW2077.94 g/mol
LogP23.86
Rot. Bonds38

About 1-[1-[3-(3-acetyl-7-methylindol-1-yl)propyl]piperidin-4-yl]-3H-indol-2-one;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone

1-[1-[3-(3-acetyl-7-methylindol-1-yl)propyl]piperidin-4-yl]-3H-indol-2-one;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone (PubChem CID 158464450) has the molecular formula C125H141Cl3N12O10 and a molecular weight of 2077.94 g/mol. Its IUPAC name is 1-[1-[3-(3-acetyl-7-methylindol-1-yl)propyl]piperidin-4-yl]-3H-indol-2-one;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[1-[3-(3-acetyl-7-methylindol-1-yl)propyl]piperidin-4-yl]-3H-indol-2-one;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone
PubChem CID158464450
Molecular FormulaC125H141Cl3N12O10
Molecular Weight2077.94 g/mol
Exact Mass2075.00
IUPAC Name1-[1-[3-(3-acetyl-7-methylindol-1-yl)propyl]piperidin-4-yl]-3H-indol-2-one;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone
SMILESCC(=O)c1cn(CCCN2CCC(N3C(=O)Cc4ccccc43)CC2)c2c(C)cccc12.CCc1cccc2c(C(C)=O)cn(CCCN3CCN(CCOc4ccc(Cl)c5ccccc45)CC3)c12.COc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3CCN(CCOc4ccc(Cl)c5ccccc45)CC3)c12.COc1cccc2c(C(C)=O)cn(CC(C)CN3CCN(CCOc4ccc(Cl)c5ccccc45)CC3)c12
InChIInChI=1S/C36H38ClN3O3.C31H36ClN3O3.C31H36ClN3O2.C27H31N3O2/c1-42-35-14-7-13-30-31(33(41)25-27-9-3-2-4-10-27)26-40(36(30)35)18-8-17-38-19-21-39(22-20-38)23-24-43-34-16-15-32(37)28-11-5-6-12-29(28)34;1-22(20-35-21-27(23(2)36)26-9-6-10-30(37-3)31(26)35)19-34-15-13-33(14-16-34)17-18-38-29-12-11-28(32)24-7-4-5-8-25(24)29;1-3-24-8-6-11-27-28(23(2)36)22-35(31(24)27)15-7-14-33-16-18-34(19-17-33)20-21-37-30-13-12-29(32)25-9-4-5-10-26(25)30;1-19-7-5-9-23-24(20(2)31)18-29(27(19)23)14-6-13-28-15-11-22(12-16-28)30-25-10-4-3-8-21(25)17-26(30)32/h2-7,9-16,26H,8,17-25H2,1H3;4-12,21-22H,13-20H2,1-3H3;4-6,8-13,22H,3,7,14-21H2,1-2H3;3-5,7-10,18,22H,6,11-17H2,1-2H3
InChIKeyHFOSKIGOWALNRW-UHFFFAOYSA-N
XLogP23.86
TPSA177.14 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds38
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002077.94
LogP ≤ 523.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 1-[1-[3-(3-acetyl-7-methylindol-1-yl)propyl]piperidin-4-yl]-3H-indol-2-one;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone with MolForge

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Related Compounds

1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide
CID 58967593
1-[3-[3-[1-[2-[[[1-[3-[(5S)-3-[2-(3,5-dichlorophenyl)-2-oxoethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carbonyl]amino]methyl]-3-bicyclo[3.1.0]hexa-1,5-dienyl]-3-(4-fluorophenoxy)propan-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(2-methylphenyl)methyl]indole-3-carboxamide
CID 143502685
1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[7-methoxy-1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone
CID 160899595
2-[8-[3-(3-Acetyl-7-chloroindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]-1-morpholin-4-ylethanone;1-[1-[3-(4-butylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;4-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]butan-2-one;2,2,2-trifluoro-1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 160952053
1-[1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-morpholin-4-ylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-methyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone
CID 161132411
1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide
CID 58967542
[1-[3-[4-[2-(4-Chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone
CID 58967655
1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxy-N-[(2-methylphenyl)methyl]indole-3-carboxamide
CID 58967681
1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-methoxyindole-3-carboxamide
CID 58967888
1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide
CID 58968024
1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58968028
1-[1-[3-[4-[2-(4-Chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone
CID 58968047

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(3-acetyl-7-methylindol-1-yl)propyl]piperidin-4-yl]-3H-indol-2-one;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone?
The IUPAC name of 1-[1-[3-(3-acetyl-7-methylindol-1-yl)propyl]piperidin-4-yl]-3H-indol-2-one;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone (CID 158464450) is 1-[1-[3-(3-acetyl-7-methylindol-1-yl)propyl]piperidin-4-yl]-3H-indol-2-one;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone.
What is the SMILES notation for 1-[1-[3-(3-acetyl-7-methylindol-1-yl)propyl]piperidin-4-yl]-3H-indol-2-one;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone?
The canonical SMILES for 1-[1-[3-(3-acetyl-7-methylindol-1-yl)propyl]piperidin-4-yl]-3H-indol-2-one;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone is CC(=O)c1cn(CCCN2CCC(N3C(=O)Cc4ccccc43)CC2)c2c(C)cccc12.CCc1cccc2c(C(C)=O)cn(CCCN3CCN(CCOc4ccc(Cl)c5ccccc45)CC3)c12.COc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3CCN(CCOc4ccc(Cl)c5ccccc45)CC3)c12.COc1cccc2c(C(C)=O)cn(CC(C)CN3CCN(CCOc4ccc(Cl)c5ccccc45)CC3)c12.
What is the InChIKey of 1-[1-[3-(3-acetyl-7-methylindol-1-yl)propyl]piperidin-4-yl]-3H-indol-2-one;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone?
The InChIKey is HFOSKIGOWALNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38ClN3O3.C31H36ClN3O3.C31H36ClN3O2.C27H31N3O2/c1-42-35-14-7-13-30-31(33(41)25-27-9-3-2-4-10-27)26-40(36(30)35)18-8-17-38-19-21-39(22-20-38)23-24-43-34-16-15-32(37)28-11-5-6-12-29(28)34;1-22(20-35-21-27(23(2)36)26-9-6-10-30(37-3)31(26)35)19-34-15-13-33(14-16-34)17-18-38-29-12-11-28(32)24-7-4-5-8-25(24)29;1-3-24-8-6-11-27-28(23(2)36)22-35(31(24)27)15-7-14-33-16-18-34(19-17-33)20-21-37-30-13-12-29(32)25-9-4-5-10-26(25)30;1-19-7-5-9-23-24(20(2)31)18-29(27(19)23)14-6-13-28-15-11-22(12-16-28)30-25-10-4-3-8-21(25)17-26(30)32/h2-7,9-16,26H,8,17-25H2,1H3;4-12,21-22H,13-20H2,1-3H3;4-6,8-13,22H,3,7,14-21H2,1-2H3;3-5,7-10,18,22H,6,11-17H2,1-2H3.
What are the key properties of 1-[1-[3-(3-acetyl-7-methylindol-1-yl)propyl]piperidin-4-yl]-3H-indol-2-one;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone?
1-[1-[3-(3-acetyl-7-methylindol-1-yl)propyl]piperidin-4-yl]-3H-indol-2-one;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone has a molecular weight of 2077.94 g/mol, XLogP of 23.86, 38 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(3-acetyl-7-methylindol-1-yl)propyl]piperidin-4-yl]-3H-indol-2-one;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone is sourced from PubChem (CID 158464450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).