N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(fluoromethoxy)phenyl]indol-1-yl]propyl]-4-[[4-[(3,5-dimethoxyphenyl)methoxy]-3-methoxyphenyl]methylamino]piperidine-4-carboxamide

C53H61Cl2FN6O6 — CID 122484937

IUPACN-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(fluoromethoxy)phenyl]indol-1-yl]propyl]-4-[[4-[(3,5-dimethoxyphenyl)methoxy]-3-methoxyphenyl]methylamino]piperidine-4-carboxamide
SMILESCOc1cc(COc2ccc(CNC3(C(=O)NCCCn4cc(-c5ccc(OCF)cc5)c5cc(CN6CCN(Cc7c(Cl)cccc7Cl)CC6)ccc54)CCNCC3)cc2OC)cc(OC)c1
InChIInChI=1S/C53H61Cl2FN6O6/c1-64-42-26-39(27-43(30-42)65-2)35-67-50-15-9-37(29-51(50)66-3)31-59-53(16-19-57-20-17-53)52(63)58-18-5-21-62-34-45(40-10-12-41(13-11-40)68-36-56)44-28-38(8-14-49(44)62)32-60-22-24-61(25-23-60)33-46-47(54)6-4-7-48(46)55/h4,6-15,26-30,34,57,59H,5,16-25,31-33,35-36H2,1-3H3,(H,58,63)
InChIKeyFVVPOGFUILLCQS-UHFFFAOYSA-N
MW968.01 g/mol
LogP9.26
Rot. Bonds21

About N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(fluoromethoxy)phenyl]indol-1-yl]propyl]-4-[[4-[(3,5-dimethoxyphenyl)methoxy]-3-methoxyphenyl]methylamino]piperidine-4-carboxamide

N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(fluoromethoxy)phenyl]indol-1-yl]propyl]-4-[[4-[(3,5-dimethoxyphenyl)methoxy]-3-methoxyphenyl]methylamino]piperidine-4-carboxamide (PubChem CID 122484937) has the molecular formula C53H61Cl2FN6O6 and a molecular weight of 968.01 g/mol. Its IUPAC name is N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(fluoromethoxy)phenyl]indol-1-yl]propyl]-4-[[4-[(3,5-dimethoxyphenyl)methoxy]-3-methoxyphenyl]methylamino]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(fluoromethoxy)phenyl]indol-1-yl]propyl]-4-[[4-[(3,5-dimethoxyphenyl)methoxy]-3-methoxyphenyl]methylamino]piperidine-4-carboxamide
PubChem CID122484937
Molecular FormulaC53H61Cl2FN6O6
Molecular Weight968.01 g/mol
Exact Mass966.40
IUPAC NameN-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(fluoromethoxy)phenyl]indol-1-yl]propyl]-4-[[4-[(3,5-dimethoxyphenyl)methoxy]-3-methoxyphenyl]methylamino]piperidine-4-carboxamide
SMILESCOc1cc(COc2ccc(CNC3(C(=O)NCCCn4cc(-c5ccc(OCF)cc5)c5cc(CN6CCN(Cc7c(Cl)cccc7Cl)CC6)ccc54)CCNCC3)cc2OC)cc(OC)c1
InChIInChI=1S/C53H61Cl2FN6O6/c1-64-42-26-39(27-43(30-42)65-2)35-67-50-15-9-37(29-51(50)66-3)31-59-53(16-19-57-20-17-53)52(63)58-18-5-21-62-34-45(40-10-12-41(13-11-40)68-36-56)44-28-38(8-14-49(44)62)32-60-22-24-61(25-23-60)33-46-47(54)6-4-7-48(46)55/h4,6-15,26-30,34,57,59H,5,16-25,31-33,35-36H2,1-3H3,(H,58,63)
InChIKeyFVVPOGFUILLCQS-UHFFFAOYSA-N
XLogP9.26
TPSA110.72 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500968.01
LogP ≤ 59.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(fluoromethoxy)phenyl]indol-1-yl]propyl]-4-[[4-[(3,5-dimethoxyphenyl)methoxy]-3-methoxyphenyl]methylamino]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(fluoromethoxy)phenyl]indol-1-yl]propyl]-4-[[4-[(3,5-dimethoxyphenyl)methoxy]-3-methoxyphenyl]methylamino]piperidine-4-carboxamide?
The IUPAC name of N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(fluoromethoxy)phenyl]indol-1-yl]propyl]-4-[[4-[(3,5-dimethoxyphenyl)methoxy]-3-methoxyphenyl]methylamino]piperidine-4-carboxamide (CID 122484937) is N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(fluoromethoxy)phenyl]indol-1-yl]propyl]-4-[[4-[(3,5-dimethoxyphenyl)methoxy]-3-methoxyphenyl]methylamino]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(fluoromethoxy)phenyl]indol-1-yl]propyl]-4-[[4-[(3,5-dimethoxyphenyl)methoxy]-3-methoxyphenyl]methylamino]piperidine-4-carboxamide?
The canonical SMILES for N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(fluoromethoxy)phenyl]indol-1-yl]propyl]-4-[[4-[(3,5-dimethoxyphenyl)methoxy]-3-methoxyphenyl]methylamino]piperidine-4-carboxamide is COc1cc(COc2ccc(CNC3(C(=O)NCCCn4cc(-c5ccc(OCF)cc5)c5cc(CN6CCN(Cc7c(Cl)cccc7Cl)CC6)ccc54)CCNCC3)cc2OC)cc(OC)c1.
What is the InChIKey of N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(fluoromethoxy)phenyl]indol-1-yl]propyl]-4-[[4-[(3,5-dimethoxyphenyl)methoxy]-3-methoxyphenyl]methylamino]piperidine-4-carboxamide?
The InChIKey is FVVPOGFUILLCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H61Cl2FN6O6/c1-64-42-26-39(27-43(30-42)65-2)35-67-50-15-9-37(29-51(50)66-3)31-59-53(16-19-57-20-17-53)52(63)58-18-5-21-62-34-45(40-10-12-41(13-11-40)68-36-56)44-28-38(8-14-49(44)62)32-60-22-24-61(25-23-60)33-46-47(54)6-4-7-48(46)55/h4,6-15,26-30,34,57,59H,5,16-25,31-33,35-36H2,1-3H3,(H,58,63).
What are the key properties of N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(fluoromethoxy)phenyl]indol-1-yl]propyl]-4-[[4-[(3,5-dimethoxyphenyl)methoxy]-3-methoxyphenyl]methylamino]piperidine-4-carboxamide?
N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(fluoromethoxy)phenyl]indol-1-yl]propyl]-4-[[4-[(3,5-dimethoxyphenyl)methoxy]-3-methoxyphenyl]methylamino]piperidine-4-carboxamide has a molecular weight of 968.01 g/mol, XLogP of 9.26, 21 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(fluoromethoxy)phenyl]indol-1-yl]propyl]-4-[[4-[(3,5-dimethoxyphenyl)methoxy]-3-methoxyphenyl]methylamino]piperidine-4-carboxamide is sourced from PubChem (CID 122484937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).