N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-(3-methylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(3-methylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide

C70H74F2N8O6 — CID 167638035

About N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-(3-methylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(3-methylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide

N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-(3-methylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(3-methylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide (PubChem CID 167638035) has the molecular formula C70H74F2N8O6 and a molecular weight of 1161.41 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-(3-methylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(3-methylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide.

Molecular Properties

• Compound Name: N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-(3-methylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(3-methylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
• PubChem CID: 167638035
• Molecular Formula: C70H74F2N8O6
• Molecular Weight: 1161.41 g/mol
• Exact Mass: 1160.57
• IUPAC Name: N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-(3-methylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(3-methylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
• SMILES: Cc1cccc(-c2ccc(OC3CCN(C(=O)c4cc(F)ccc4C(=O)NCCc4ccc(N(C)C)cc4)CC3)nc2)c1.Cc1cccc(-c2ccc(OC3CCN(C(=O)c4ccc(F)cc4C(=O)NCCc4ccc(N(C)C)cc4)CC3)nc2)c1
• InChI: InChI=1S/2C35H37FN4O3/c1-24-5-4-6-26(21-24)27-9-14-33(38-23-27)43-30-16-19-40(20-17-30)35(42)31-13-10-28(36)22-32(31)34(41)37-18-15-25-7-11-29(12-8-25)39(2)3;1-24-5-4-6-26(21-24)27-9-14-33(38-23-27)43-30-16-19-40(20-17-30)35(42)32-22-28(36)10-13-31(32)34(41)37-18-15-25-7-11-29(12-8-25)39(2)3/h2*4-14,21-23,30H,15-20H2,1-3H3,(H,37,41)
• InChIKey: OTJMLBAIKHUJIL-UHFFFAOYSA-N
• XLogP: 11.84
• TPSA: 149.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1161.41
LogP ≤ 5	11.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-(3-methylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(3-methylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide?

The IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-(3-methylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(3-methylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide (CID 167638035) is N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-(3-methylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(3-methylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide.

What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-(3-methylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(3-methylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide?

The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-(3-methylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(3-methylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide is Cc1cccc(-c2ccc(OC3CCN(C(=O)c4cc(F)ccc4C(=O)NCCc4ccc(N(C)C)cc4)CC3)nc2)c1.Cc1cccc(-c2ccc(OC3CCN(C(=O)c4ccc(F)cc4C(=O)NCCc4ccc(N(C)C)cc4)CC3)nc2)c1.

What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-(3-methylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(3-methylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide?

The InChIKey is OTJMLBAIKHUJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H37FN4O3/c1-24-5-4-6-26(21-24)27-9-14-33(38-23-27)43-30-16-19-40(20-17-30)35(42)31-13-10-28(36)22-32(31)34(41)37-18-15-25-7-11-29(12-8-25)39(2)3;1-24-5-4-6-26(21-24)27-9-14-33(38-23-27)43-30-16-19-40(20-17-30)35(42)32-22-28(36)10-13-31(32)34(41)37-18-15-25-7-11-29(12-8-25)39(2)3/h2*4-14,21-23,30H,15-20H2,1-3H3,(H,37,41).

What are the key properties of N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-(3-methylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(3-methylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide?

N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-(3-methylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(3-methylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide has a molecular weight of 1161.41 g/mol, XLogP of 11.84, 18 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-(3-methylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(3-methylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide is sourced from PubChem (CID 167638035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).