N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]indol-1-yl]propyl]-4-[[2-(3-methylphenyl)-3-pyridinyl]methylamino]piperidine-4-carboxamide;ethane

C51H58Cl2F3N7O — CID 145323543

About N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]indol-1-yl]propyl]-4-[[2-(3-methylphenyl)-3-pyridinyl]methylamino]piperidine-4-carboxamide;ethane

N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]indol-1-yl]propyl]-4-[[2-(3-methylphenyl)-3-pyridinyl]methylamino]piperidine-4-carboxamide;ethane (PubChem CID 145323543) has the molecular formula C51H58Cl2F3N7O and a molecular weight of 912.97 g/mol. Its IUPAC name is N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]indol-1-yl]propyl]-4-[[2-(3-methylphenyl)-3-pyridinyl]methylamino]piperidine-4-carboxamide;ethane.

Molecular Properties

• Compound Name: N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]indol-1-yl]propyl]-4-[[2-(3-methylphenyl)-3-pyridinyl]methylamino]piperidine-4-carboxamide;ethane
• PubChem CID: 145323543
• Molecular Formula: C51H58Cl2F3N7O
• Molecular Weight: 912.97 g/mol
• Exact Mass: 911.40
• IUPAC Name: N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]indol-1-yl]propyl]-4-[[2-(3-methylphenyl)-3-pyridinyl]methylamino]piperidine-4-carboxamide;ethane
• SMILES: CC.Cc1cccc(-c2ncccc2CNC2(C(=O)NCCCn3cc(-c4ccc(C(F)(F)F)cc4)c4cc(CN5CCN(Cc6c(Cl)cccc6Cl)CC5)ccc43)CCNCC2)c1
• InChI: InChI=1S/C49H52Cl2F3N7O.C2H6/c1-34-6-2-7-37(28-34)46-38(8-4-19-56-46)30-58-48(17-21-55-22-18-48)47(62)57-20-5-23-61-33-41(36-12-14-39(15-13-36)49(52,53)54)40-29-35(11-16-45(40)61)31-59-24-26-60(27-25-59)32-42-43(50)9-3-10-44(42)51;1-2/h2-4,6-16,19,28-29,33,55,58H,5,17-18,20-27,30-32H2,1H3,(H,57,62);1-2H3
• InChIKey: ISYYOABGNFRWRH-UHFFFAOYSA-N
• XLogP: 10.77
• TPSA: 77.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	912.97
LogP ≤ 5	10.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]indol-1-yl]propyl]-4-[[2-(3-methylphenyl)-3-pyridinyl]methylamino]piperidine-4-carboxamide;ethane?

The IUPAC name of N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]indol-1-yl]propyl]-4-[[2-(3-methylphenyl)-3-pyridinyl]methylamino]piperidine-4-carboxamide;ethane (CID 145323543) is N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]indol-1-yl]propyl]-4-[[2-(3-methylphenyl)-3-pyridinyl]methylamino]piperidine-4-carboxamide;ethane.

What is the SMILES notation for N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]indol-1-yl]propyl]-4-[[2-(3-methylphenyl)-3-pyridinyl]methylamino]piperidine-4-carboxamide;ethane?

The canonical SMILES for N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]indol-1-yl]propyl]-4-[[2-(3-methylphenyl)-3-pyridinyl]methylamino]piperidine-4-carboxamide;ethane is CC.Cc1cccc(-c2ncccc2CNC2(C(=O)NCCCn3cc(-c4ccc(C(F)(F)F)cc4)c4cc(CN5CCN(Cc6c(Cl)cccc6Cl)CC5)ccc43)CCNCC2)c1.

What is the InChIKey of N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]indol-1-yl]propyl]-4-[[2-(3-methylphenyl)-3-pyridinyl]methylamino]piperidine-4-carboxamide;ethane?

The InChIKey is ISYYOABGNFRWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H52Cl2F3N7O.C2H6/c1-34-6-2-7-37(28-34)46-38(8-4-19-56-46)30-58-48(17-21-55-22-18-48)47(62)57-20-5-23-61-33-41(36-12-14-39(15-13-36)49(52,53)54)40-29-35(11-16-45(40)61)31-59-24-26-60(27-25-59)32-42-43(50)9-3-10-44(42)51;1-2/h2-4,6-16,19,28-29,33,55,58H,5,17-18,20-27,30-32H2,1H3,(H,57,62);1-2H3.

What are the key properties of N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]indol-1-yl]propyl]-4-[[2-(3-methylphenyl)-3-pyridinyl]methylamino]piperidine-4-carboxamide;ethane?

N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]indol-1-yl]propyl]-4-[[2-(3-methylphenyl)-3-pyridinyl]methylamino]piperidine-4-carboxamide;ethane has a molecular weight of 912.97 g/mol, XLogP of 10.77, 14 rotatable bonds, 3 hydrogen bond donors, and 7 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-(trifluoromethyl)phenyl]indol-1-yl]propyl]-4-[[2-(3-methylphenyl)-3-pyridinyl]methylamino]piperidine-4-carboxamide;ethane is sourced from PubChem (CID 145323543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).