1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide

C121H147Cl3FN13O11 — CID 159321978

IUPAC1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NCC(C)C)cn(CCCN3CCC(Oc4ccc(Cl)cc4)CC3)c12.COc1cccc2c(C(=O)NCC(C)C)cn(CCCN3CCC(Oc4cccc(Cl)c4)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCC(Oc4ccc(Cl)cc4)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCCN(Cc4ccc(F)cc4)CC3)c12
InChIInChI=1S/C33H39FN4O2.C32H36ClN3O3.2C28H36ClN3O3/c1-25-7-3-8-27(21-25)22-35-33(39)30-24-38(32-29(30)9-4-10-31(32)40-2)18-6-16-36-15-5-17-37(20-19-36)23-26-11-13-28(34)14-12-26;1-23-6-3-7-24(20-23)21-34-32(37)29-22-36(31-28(29)8-4-9-30(31)38-2)17-5-16-35-18-14-27(15-19-35)39-26-12-10-25(33)11-13-26;1-20(2)18-30-28(33)25-19-32(27-24(25)9-5-10-26(27)34-3)14-6-13-31-15-11-22(12-16-31)35-23-8-4-7-21(29)17-23;1-20(2)18-30-28(33)25-19-32(27-24(25)6-4-7-26(27)34-3)15-5-14-31-16-12-23(13-17-31)35-22-10-8-21(29)9-11-22/h3-4,7-14,21,24H,5-6,15-20,22-23H2,1-2H3,(H,35,39);3-4,6-13,20,22,27H,5,14-19,21H2,1-2H3,(H,34,37);4-5,7-10,17,19-20,22H,6,11-16,18H2,1-3H3,(H,30,33);4,6-11,19-20,23H,5,12-18H2,1-3H3,(H,30,33)
InChIKeyLDWNWFCCEGQMCF-UHFFFAOYSA-N
MW2084.94 g/mol
LogP23.35
Rot. Bonds40

About 1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide

1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide (PubChem CID 159321978) has the molecular formula C121H147Cl3FN13O11 and a molecular weight of 2084.94 g/mol. Its IUPAC name is 1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide
PubChem CID159321978
Molecular FormulaC121H147Cl3FN13O11
Molecular Weight2084.94 g/mol
Exact Mass2082.04
IUPAC Name1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NCC(C)C)cn(CCCN3CCC(Oc4ccc(Cl)cc4)CC3)c12.COc1cccc2c(C(=O)NCC(C)C)cn(CCCN3CCC(Oc4cccc(Cl)c4)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCC(Oc4ccc(Cl)cc4)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCCN(Cc4ccc(F)cc4)CC3)c12
InChIInChI=1S/C33H39FN4O2.C32H36ClN3O3.2C28H36ClN3O3/c1-25-7-3-8-27(21-25)22-35-33(39)30-24-38(32-29(30)9-4-10-31(32)40-2)18-6-16-36-15-5-17-37(20-19-36)23-26-11-13-28(34)14-12-26;1-23-6-3-7-24(20-23)21-34-32(37)29-22-36(31-28(29)8-4-9-30(31)38-2)17-5-16-35-18-14-27(15-19-35)39-26-12-10-25(33)11-13-26;1-20(2)18-30-28(33)25-19-32(27-24(25)9-5-10-26(27)34-3)14-6-13-31-15-11-22(12-16-31)35-23-8-4-7-21(29)17-23;1-20(2)18-30-28(33)25-19-32(27-24(25)6-4-7-26(27)34-3)15-5-14-31-16-12-23(13-17-31)35-22-10-8-21(29)9-11-22/h3-4,7-14,21,24H,5-6,15-20,22-23H2,1-2H3,(H,35,39);3-4,6-13,20,22,27H,5,14-19,21H2,1-2H3,(H,34,37);4-5,7-10,17,19-20,22H,6,11-16,18H2,1-3H3,(H,30,33);4,6-11,19-20,23H,5,12-18H2,1-3H3,(H,30,33)
InChIKeyLDWNWFCCEGQMCF-UHFFFAOYSA-N
XLogP23.35
TPSA216.93 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds40
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002084.94
LogP ≤ 523.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide with MolForge

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-1-[3-[(1R,4R)-5-[2-(4-fluorophenoxy)ethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58967613
1-[3-[4-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide
CID 58967651
N-[(3,4-dichlorophenyl)methyl]-1-[3-[5-[2-(4-fluorophenoxy)ethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]propyl]-7-methoxyindole-3-carboxamide
CID 58967670
1-[3-[(1R,5S)-3-[2-(4-fluorophenoxy)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58967671
N-[(3-chlorophenyl)methyl]-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide
CID 58967737
N-[(3,4-dichlorophenyl)methyl]-1-[3-[5-[2-(4-fluorophenoxy)ethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58967749
N-[(3,4-dichlorophenyl)methyl]-1-[3-[(1R,4R)-5-[2-(4-fluorophenoxy)ethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]propyl]-7-methoxyindole-3-carboxamide
CID 58967761
1-[3-[5-[2-(4-fluorophenoxy)ethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide
CID 58967842
N-[(3,4-dichlorophenyl)methyl]-1-[3-[3-[2-(4-fluorophenoxy)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58967847
1-[3-[5-[2-(4-fluorophenoxy)ethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58967901
1-[3-[4-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58967904
N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindole-3-carboxamide
CID 58967942

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide?
The IUPAC name of 1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide (CID 159321978) is 1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide.
What is the SMILES notation for 1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide?
The canonical SMILES for 1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide is COc1cccc2c(C(=O)NCC(C)C)cn(CCCN3CCC(Oc4ccc(Cl)cc4)CC3)c12.COc1cccc2c(C(=O)NCC(C)C)cn(CCCN3CCC(Oc4cccc(Cl)c4)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCC(Oc4ccc(Cl)cc4)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCCN(Cc4ccc(F)cc4)CC3)c12.
What is the InChIKey of 1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide?
The InChIKey is LDWNWFCCEGQMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39FN4O2.C32H36ClN3O3.2C28H36ClN3O3/c1-25-7-3-8-27(21-25)22-35-33(39)30-24-38(32-29(30)9-4-10-31(32)40-2)18-6-16-36-15-5-17-37(20-19-36)23-26-11-13-28(34)14-12-26;1-23-6-3-7-24(20-23)21-34-32(37)29-22-36(31-28(29)8-4-9-30(31)38-2)17-5-16-35-18-14-27(15-19-35)39-26-12-10-25(33)11-13-26;1-20(2)18-30-28(33)25-19-32(27-24(25)9-5-10-26(27)34-3)14-6-13-31-15-11-22(12-16-31)35-23-8-4-7-21(29)17-23;1-20(2)18-30-28(33)25-19-32(27-24(25)6-4-7-26(27)34-3)15-5-14-31-16-12-23(13-17-31)35-22-10-8-21(29)9-11-22/h3-4,7-14,21,24H,5-6,15-20,22-23H2,1-2H3,(H,35,39);3-4,6-13,20,22,27H,5,14-19,21H2,1-2H3,(H,34,37);4-5,7-10,17,19-20,22H,6,11-16,18H2,1-3H3,(H,30,33);4,6-11,19-20,23H,5,12-18H2,1-3H3,(H,30,33).
What are the key properties of 1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide?
1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide has a molecular weight of 2084.94 g/mol, XLogP of 23.35, 40 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide is sourced from PubChem (CID 159321978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).