4-fluoro-N-[(1R)-2-morpholin-4-yl-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]benzamide

C26H30FN3O4 — CID 93182730

About 4-fluoro-N-[(1R)-2-morpholin-4-yl-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]benzamide

4-fluoro-N-[(1R)-2-morpholin-4-yl-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]benzamide (PubChem CID 93182730) has the molecular formula C26H30FN3O4 and a molecular weight of 467.54 g/mol. Its IUPAC name is 4-fluoro-N-[(1R)-2-morpholin-4-yl-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[(1R)-2-morpholin-4-yl-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]benzamide
• PubChem CID: 93182730
• Molecular Formula: C26H30FN3O4
• Molecular Weight: 467.54 g/mol
• Exact Mass: 467.22
• IUPAC Name: 4-fluoro-N-[(1R)-2-morpholin-4-yl-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]benzamide
• SMILES: O=C(N[C@@H](C(=O)N1CCOCC1)C1CCN(C(=O)Cc2ccccc2)CC1)c1ccc(F)cc1
• InChI: InChI=1S/C26H30FN3O4/c27-22-8-6-21(7-9-22)25(32)28-24(26(33)30-14-16-34-17-15-30)20-10-12-29(13-11-20)23(31)18-19-4-2-1-3-5-19/h1-9,20,24H,10-18H2,(H,28,32)/t24-/m1/s1
• InChIKey: AUUSHWUHTDZUEZ-XMMPIXPASA-N
• XLogP: 2.26
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.54
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1R)-2-morpholin-4-yl-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]benzamide?

The IUPAC name of 4-fluoro-N-[(1R)-2-morpholin-4-yl-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]benzamide (CID 93182730) is 4-fluoro-N-[(1R)-2-morpholin-4-yl-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]benzamide.

What is the SMILES notation for 4-fluoro-N-[(1R)-2-morpholin-4-yl-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]benzamide?

The canonical SMILES for 4-fluoro-N-[(1R)-2-morpholin-4-yl-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]benzamide is O=C(N[C@@H](C(=O)N1CCOCC1)C1CCN(C(=O)Cc2ccccc2)CC1)c1ccc(F)cc1.

What is the InChIKey of 4-fluoro-N-[(1R)-2-morpholin-4-yl-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]benzamide?

The InChIKey is AUUSHWUHTDZUEZ-XMMPIXPASA-N. The full InChI is InChI=1S/C26H30FN3O4/c27-22-8-6-21(7-9-22)25(32)28-24(26(33)30-14-16-34-17-15-30)20-10-12-29(13-11-20)23(31)18-19-4-2-1-3-5-19/h1-9,20,24H,10-18H2,(H,28,32)/t24-/m1/s1.

What are the key properties of 4-fluoro-N-[(1R)-2-morpholin-4-yl-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]benzamide?

4-fluoro-N-[(1R)-2-morpholin-4-yl-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]benzamide has a molecular weight of 467.54 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[(1R)-2-morpholin-4-yl-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]benzamide is sourced from PubChem (CID 93182730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).