2-[6-chloro-1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;molecular hydrogen

C51H51Cl2F2N7O6 — CID 159045485

About 2-[6-chloro-1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;molecular hydrogen

2-[6-chloro-1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;molecular hydrogen (PubChem CID 159045485) has the molecular formula C51H51Cl2F2N7O6 and a molecular weight of 966.91 g/mol. Its IUPAC name is 2-[6-chloro-1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;molecular hydrogen.

Molecular Properties

• Compound Name: 2-[6-chloro-1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;molecular hydrogen
• PubChem CID: 159045485
• Molecular Formula: C51H51Cl2F2N7O6
• Molecular Weight: 966.91 g/mol
• Exact Mass: 965.32
• IUPAC Name: 2-[6-chloro-1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;molecular hydrogen
• SMILES: CN(C)C(=O)C(=O)c1c[nH]c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12.CN(C)C(=O)C(=O)c1cn(C#N)c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12.[H][H]
• InChI: InChI=1S/C26H24ClFN4O3.C25H25ClFN3O3.H2/c1-30(2)26(35)24(33)21-14-32(15-29)23-13-22(27)20(12-19(21)23)25(34)31-9-7-17(8-10-31)11-16-3-5-18(28)6-4-16;1-29(2)25(33)23(31)20-14-28-22-13-21(26)19(12-18(20)22)24(32)30-9-7-16(8-10-30)11-15-3-5-17(27)6-4-15;/h3-6,12-14,17H,7-11H2,1-2H3;3-6,12-14,16,28H,7-11H2,1-2H3;1H
• InChIKey: JWPGQMYAMKBXST-UHFFFAOYSA-N
• XLogP: 8.70
• TPSA: 159.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	966.91
LogP ≤ 5	8.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;molecular hydrogen?

The IUPAC name of 2-[6-chloro-1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;molecular hydrogen (CID 159045485) is 2-[6-chloro-1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;molecular hydrogen.

What is the SMILES notation for 2-[6-chloro-1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;molecular hydrogen?

The canonical SMILES for 2-[6-chloro-1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;molecular hydrogen is CN(C)C(=O)C(=O)c1c[nH]c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12.CN(C)C(=O)C(=O)c1cn(C#N)c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12.[H][H].

What is the InChIKey of 2-[6-chloro-1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;molecular hydrogen?

The InChIKey is JWPGQMYAMKBXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN4O3.C25H25ClFN3O3.H2/c1-30(2)26(35)24(33)21-14-32(15-29)23-13-22(27)20(12-19(21)23)25(34)31-9-7-17(8-10-31)11-16-3-5-18(28)6-4-16;1-29(2)25(33)23(31)20-14-28-22-13-21(26)19(12-18(20)22)24(32)30-9-7-16(8-10-30)11-15-3-5-17(27)6-4-15;/h3-6,12-14,17H,7-11H2,1-2H3;3-6,12-14,16,28H,7-11H2,1-2H3;1H.

What are the key properties of 2-[6-chloro-1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;molecular hydrogen?

2-[6-chloro-1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;molecular hydrogen has a molecular weight of 966.91 g/mol, XLogP of 8.70, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-chloro-1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;molecular hydrogen is sourced from PubChem (CID 159045485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).