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

C78H88F2N10O8 — CID 167531437

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

N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide (PubChem CID 167531437) has the molecular formula C78H88F2N10O8 and a molecular weight of 1331.62 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide.

Molecular Properties

• Compound Name: N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
• PubChem CID: 167531437
• Molecular Formula: C78H88F2N10O8
• Molecular Weight: 1331.62 g/mol
• Exact Mass: 1330.68
• IUPAC Name: N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
• SMILES: CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CCC(Oc3ccc(-c4ccc(CN5CCOCC5)cc4)cn3)CC2)cc1.CN(C)c1ccc(CCNC(=O)c2ccc(F)cc2C(=O)N2CCC(Oc3ccc(-c4ccc(CN5CCOCC5)cc4)cn3)CC2)cc1
• InChI: InChI=1S/2C39H44FN5O4/c1-43(2)33-11-5-28(6-12-33)15-18-41-38(46)36-25-32(40)10-13-35(36)39(47)45-19-16-34(17-20-45)49-37-14-9-31(26-42-37)30-7-3-29(4-8-30)27-44-21-23-48-24-22-44;1-43(2)33-11-5-28(6-12-33)15-18-41-38(46)35-13-10-32(40)25-36(35)39(47)45-19-16-34(17-20-45)49-37-14-9-31(26-42-37)30-7-3-29(4-8-30)27-44-21-23-48-24-22-44/h2*3-14,25-26,34H,15-24,27H2,1-2H3,(H,41,46)
• InChIKey: AAFSVFGUGKGANS-UHFFFAOYSA-N
• XLogP: 10.88
• TPSA: 174.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 22
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1331.62
LogP ≤ 5	10.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

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

The IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide (CID 167531437) is N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide.

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

The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide is CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CCC(Oc3ccc(-c4ccc(CN5CCOCC5)cc4)cn3)CC2)cc1.CN(C)c1ccc(CCNC(=O)c2ccc(F)cc2C(=O)N2CCC(Oc3ccc(-c4ccc(CN5CCOCC5)cc4)cn3)CC2)cc1.

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

The InChIKey is AAFSVFGUGKGANS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C39H44FN5O4/c1-43(2)33-11-5-28(6-12-33)15-18-41-38(46)36-25-32(40)10-13-35(36)39(47)45-19-16-34(17-20-45)49-37-14-9-31(26-42-37)30-7-3-29(4-8-30)27-44-21-23-48-24-22-44;1-43(2)33-11-5-28(6-12-33)15-18-41-38(46)35-13-10-32(40)25-36(35)39(47)45-19-16-34(17-20-45)49-37-14-9-31(26-42-37)30-7-3-29(4-8-30)27-44-21-23-48-24-22-44/h2*3-14,25-26,34H,15-24,27H2,1-2H3,(H,41,46).

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

N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide has a molecular weight of 1331.62 g/mol, XLogP of 10.88, 22 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide is sourced from PubChem (CID 167531437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).