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-chlorophenyl)methyl]piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide

C99H116Cl3N9O8 — CID 159682403

IUPAC1-[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-chlorophenyl)methyl]piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NCC(C)C)cn(CCCN3C4CCC3CC(CC(=O)c3ccc(Cl)cc3)C4)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3C4CCC3CC(Oc3ccccc3Cl)C4)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCCC(Cc4ccccc4Cl)C3)c12
InChIInChI=1S/C34H38ClN3O3.C33H38ClN3O2.C32H40ClN3O3/c1-23-8-5-9-24(18-23)21-36-34(39)29-22-37(33-28(29)10-6-13-32(33)40-2)16-7-17-38-25-14-15-26(38)20-27(19-25)41-31-12-4-3-11-30(31)35;1-24-9-5-10-25(19-24)21-35-33(38)29-23-37(32-28(29)13-6-15-31(32)39-2)18-8-17-36-16-7-11-26(22-36)20-27-12-3-4-14-30(27)34;1-21(2)19-34-32(38)28-20-35(31-27(28)6-4-7-30(31)39-3)14-5-15-36-25-12-13-26(36)17-22(16-25)18-29(37)23-8-10-24(33)11-9-23/h3-6,8-13,18,22,25-27H,7,14-17,19-21H2,1-2H3,(H,36,39);3-6,9-10,12-15,19,23,26H,7-8,11,16-18,20-22H2,1-2H3,(H,35,38);4,6-11,20-22,25-26H,5,12-19H2,1-3H3,(H,34,38)
InChIKeyMVJFDFACPROEDL-UHFFFAOYSA-N
MW1666.43 g/mol
LogP20.49
Rot. Bonds31

About 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-chlorophenyl)methyl]piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide

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-chlorophenyl)methyl]piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide (PubChem CID 159682403) has the molecular formula C99H116Cl3N9O8 and a molecular weight of 1666.43 g/mol. Its IUPAC name is 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-chlorophenyl)methyl]piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-[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-chlorophenyl)methyl]piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide
PubChem CID159682403
Molecular FormulaC99H116Cl3N9O8
Molecular Weight1666.43 g/mol
Exact Mass1663.80
IUPAC Name1-[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-chlorophenyl)methyl]piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NCC(C)C)cn(CCCN3C4CCC3CC(CC(=O)c3ccc(Cl)cc3)C4)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3C4CCC3CC(Oc3ccccc3Cl)C4)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCCC(Cc4ccccc4Cl)C3)c12
InChIInChI=1S/C34H38ClN3O3.C33H38ClN3O2.C32H40ClN3O3/c1-23-8-5-9-24(18-23)21-36-34(39)29-22-37(33-28(29)10-6-13-32(33)40-2)16-7-17-38-25-14-15-26(38)20-27(19-25)41-31-12-4-3-11-30(31)35;1-24-9-5-10-25(19-24)21-35-33(38)29-23-37(32-28(29)13-6-15-31(32)39-2)18-8-17-36-16-7-11-26(22-36)20-27-12-3-4-14-30(27)34;1-21(2)19-34-32(38)28-20-35(31-27(28)6-4-7-30(31)39-3)14-5-15-36-25-12-13-26(36)17-22(16-25)18-29(37)23-8-10-24(33)11-9-23/h3-6,8-13,18,22,25-27H,7,14-17,19-21H2,1-2H3,(H,36,39);3-6,9-10,12-15,19,23,26H,7-8,11,16-18,20-22H2,1-2H3,(H,35,38);4,6-11,20-22,25-26H,5,12-19H2,1-3H3,(H,34,38)
InChIKeyMVJFDFACPROEDL-UHFFFAOYSA-N
XLogP20.49
TPSA165.80 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds31
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001666.43
LogP ≤ 520.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 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-chlorophenyl)methyl]piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide with MolForge

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Related Compounds

1-[3-[(1R,5S)-3-[2-(3-chloro-4-fluorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58968216
1-[3-[3-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide
CID 143502481
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-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide
CID 159353400
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-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide
CID 58967627
1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide
CID 58967711
1-[3-[(1R,5S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58967887
1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide
CID 58967968
1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide
CID 58967979
1-[3-[(1R,5S)-3-[2-(3-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58968110
1-[3-[(1R,5S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58968195

Frequently Asked Questions

What is the IUPAC name of 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-chlorophenyl)methyl]piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide?
The IUPAC name of 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-chlorophenyl)methyl]piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide (CID 159682403) is 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-chlorophenyl)methyl]piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide.
What is the SMILES notation for 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-chlorophenyl)methyl]piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide?
The canonical SMILES for 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-chlorophenyl)methyl]piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide is COc1cccc2c(C(=O)NCC(C)C)cn(CCCN3C4CCC3CC(CC(=O)c3ccc(Cl)cc3)C4)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3C4CCC3CC(Oc3ccccc3Cl)C4)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCCC(Cc4ccccc4Cl)C3)c12.
What is the InChIKey of 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-chlorophenyl)methyl]piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide?
The InChIKey is MVJFDFACPROEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38ClN3O3.C33H38ClN3O2.C32H40ClN3O3/c1-23-8-5-9-24(18-23)21-36-34(39)29-22-37(33-28(29)10-6-13-32(33)40-2)16-7-17-38-25-14-15-26(38)20-27(19-25)41-31-12-4-3-11-30(31)35;1-24-9-5-10-25(19-24)21-35-33(38)29-23-37(32-28(29)13-6-15-31(32)39-2)18-8-17-36-16-7-11-26(22-36)20-27-12-3-4-14-30(27)34;1-21(2)19-34-32(38)28-20-35(31-27(28)6-4-7-30(31)39-3)14-5-15-36-25-12-13-26(36)17-22(16-25)18-29(37)23-8-10-24(33)11-9-23/h3-6,8-13,18,22,25-27H,7,14-17,19-21H2,1-2H3,(H,36,39);3-6,9-10,12-15,19,23,26H,7-8,11,16-18,20-22H2,1-2H3,(H,35,38);4,6-11,20-22,25-26H,5,12-19H2,1-3H3,(H,34,38).
What are the key properties of 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-chlorophenyl)methyl]piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide?
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-chlorophenyl)methyl]piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide has a molecular weight of 1666.43 g/mol, XLogP of 20.49, 31 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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-chlorophenyl)methyl]piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide is sourced from PubChem (CID 159682403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).