5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one

C111H129Cl6F3N12O5 — CID 157152995

IUPAC5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one
SMILESCOc1ccc(-c2cn(CCCCC(=O)C3CCCCN3)c3ccc(CN4CCN(Cc5c(Cl)cccc5Cl)CC4)cc23)cc1.Cc1ccc(-c2cn(CCCCC(=O)C3CCCCN3)c3ccc(CN4CCN(Cc5c(Cl)cccc5Cl)CC4)cc23)cc1.O=C(CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21)C1CCCCN1
InChIInChI=1S/C37H41Cl2F3N4O2.C37H44Cl2N4O2.C37H44Cl2N4O/c38-32-6-5-7-33(39)31(32)24-45-20-18-44(19-21-45)23-26-10-15-35-29(22-26)30(27-11-13-28(14-12-27)48-37(40,41)42)25-46(35)17-4-2-9-36(47)34-8-1-3-16-43-34;1-45-29-14-12-28(13-15-29)31-26-43(18-5-3-10-37(44)35-9-2-4-17-40-35)36-16-11-27(23-30(31)36)24-41-19-21-42(22-20-41)25-32-33(38)7-6-8-34(32)39;1-27-11-14-29(15-12-27)31-26-43(18-5-3-10-37(44)35-9-2-4-17-40-35)36-16-13-28(23-30(31)36)24-41-19-21-42(22-20-41)25-32-33(38)7-6-8-34(32)39/h5-7,10-15,22,25,34,43H,1-4,8-9,16-21,23-24H2;6-8,11-16,23,26,35,40H,2-5,9-10,17-22,24-25H2,1H3;6-8,11-16,23,26,35,40H,2-5,9-10,17-22,24-25H2,1H3
InChIKeyALLXMZOFAWTQOE-UHFFFAOYSA-N
MW1981.04 g/mol
LogP24.66
Rot. Bonds35

About 5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one

5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one (PubChem CID 157152995) has the molecular formula C111H129Cl6F3N12O5 and a molecular weight of 1981.04 g/mol. Its IUPAC name is 5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one.

Molecular Properties

Compound Name5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one
PubChem CID157152995
Molecular FormulaC111H129Cl6F3N12O5
Molecular Weight1981.04 g/mol
Exact Mass1976.83
IUPAC Name5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one
SMILESCOc1ccc(-c2cn(CCCCC(=O)C3CCCCN3)c3ccc(CN4CCN(Cc5c(Cl)cccc5Cl)CC4)cc23)cc1.Cc1ccc(-c2cn(CCCCC(=O)C3CCCCN3)c3ccc(CN4CCN(Cc5c(Cl)cccc5Cl)CC4)cc23)cc1.O=C(CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21)C1CCCCN1
InChIInChI=1S/C37H41Cl2F3N4O2.C37H44Cl2N4O2.C37H44Cl2N4O/c38-32-6-5-7-33(39)31(32)24-45-20-18-44(19-21-45)23-26-10-15-35-29(22-26)30(27-11-13-28(14-12-27)48-37(40,41)42)25-46(35)17-4-2-9-36(47)34-8-1-3-16-43-34;1-45-29-14-12-28(13-15-29)31-26-43(18-5-3-10-37(44)35-9-2-4-17-40-35)36-16-11-27(23-30(31)36)24-41-19-21-42(22-20-41)25-32-33(38)7-6-8-34(32)39;1-27-11-14-29(15-12-27)31-26-43(18-5-3-10-37(44)35-9-2-4-17-40-35)36-16-13-28(23-30(31)36)24-41-19-21-42(22-20-41)25-32-33(38)7-6-8-34(32)39/h5-7,10-15,22,25,34,43H,1-4,8-9,16-21,23-24H2;6-8,11-16,23,26,35,40H,2-5,9-10,17-22,24-25H2,1H3;6-8,11-16,23,26,35,40H,2-5,9-10,17-22,24-25H2,1H3
InChIKeyALLXMZOFAWTQOE-UHFFFAOYSA-N
XLogP24.66
TPSA139.99 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds35
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001981.04
LogP ≤ 524.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one with MolForge

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Related Compounds

Pan-RAS-IN-1
CID 102004330
N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-4-[[5-(2-propan-2-yloxyphenyl)pyridin-2-yl]methylamino]piperidine-4-carboxamide
CID 118550345
1-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]cyclohexane-1-carboxamide
CID 122471402
N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-1-[[4-[(3,5-dimethylphenyl)methoxy]phenyl]methylamino]cyclohexane-1-carboxamide
CID 122471408
N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-1-[[5-(2-propan-2-yloxyphenyl)-2-pyridinyl]methylamino]cyclohexane-1-carboxamide
CID 122471409
N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-4-[[4-[(3,5-dimethylphenyl)methoxy]phenyl]methylamino]piperidine-4-carboxamide
CID 122471426
N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-4-(methylamino)piperidine-4-carboxamide
CID 123179407
Tert-butyl 4-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]-4-(methylamino)piperidine-1-carboxylate
CID 123339201
4-amino-N-[3-[5-[[8-[(2,6-dichlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide
CID 129185689
4-amino-N-[4-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]butyl]piperidine-4-carboxamide
CID 129185743
4-amino-N-[2-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]ethyl]piperidine-4-carboxamide
CID 129185755
4-amino-N-[3-[5-[[6-[(2,6-dichlorophenyl)methyl]-3,6-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide
CID 129185789

Frequently Asked Questions

What is the IUPAC name of 5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one?
The IUPAC name of 5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one (CID 157152995) is 5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one.
What is the SMILES notation for 5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one?
The canonical SMILES for 5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one is COc1ccc(-c2cn(CCCCC(=O)C3CCCCN3)c3ccc(CN4CCN(Cc5c(Cl)cccc5Cl)CC4)cc23)cc1.Cc1ccc(-c2cn(CCCCC(=O)C3CCCCN3)c3ccc(CN4CCN(Cc5c(Cl)cccc5Cl)CC4)cc23)cc1.O=C(CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21)C1CCCCN1.
What is the InChIKey of 5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one?
The InChIKey is ALLXMZOFAWTQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41Cl2F3N4O2.C37H44Cl2N4O2.C37H44Cl2N4O/c38-32-6-5-7-33(39)31(32)24-45-20-18-44(19-21-45)23-26-10-15-35-29(22-26)30(27-11-13-28(14-12-27)48-37(40,41)42)25-46(35)17-4-2-9-36(47)34-8-1-3-16-43-34;1-45-29-14-12-28(13-15-29)31-26-43(18-5-3-10-37(44)35-9-2-4-17-40-35)36-16-11-27(23-30(31)36)24-41-19-21-42(22-20-41)25-32-33(38)7-6-8-34(32)39;1-27-11-14-29(15-12-27)31-26-43(18-5-3-10-37(44)35-9-2-4-17-40-35)36-16-13-28(23-30(31)36)24-41-19-21-42(22-20-41)25-32-33(38)7-6-8-34(32)39/h5-7,10-15,22,25,34,43H,1-4,8-9,16-21,23-24H2;6-8,11-16,23,26,35,40H,2-5,9-10,17-22,24-25H2,1H3;6-8,11-16,23,26,35,40H,2-5,9-10,17-22,24-25H2,1H3.
What are the key properties of 5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one?
5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one has a molecular weight of 1981.04 g/mol, XLogP of 24.66, 35 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one is sourced from PubChem (CID 157152995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).