bis(N-(1-acetylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]-3-[4-(2-methylpropoxy)phenyl]propanamide);(4-fluorophenyl)methanamine;1-[4-[(4-fluorophenyl)methylamino]piperidin-1-yl]ethanone;1-(2,2,2-trifluoroacetyl)piperidin-4-one

C82H105F7N8O9 — CID 159196282

About bis(N-(1-acetylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]-3-[4-(2-methylpropoxy)phenyl]propanamide);(4-fluorophenyl)methanamine;1-[4-[(4-fluorophenyl)methylamino]piperidin-1-yl]ethanone;1-(2,2,2-trifluoroacetyl)piperidin-4-one

bis(N-(1-acetylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]-3-[4-(2-methylpropoxy)phenyl]propanamide);(4-fluorophenyl)methanamine;1-[4-[(4-fluorophenyl)methylamino]piperidin-1-yl]ethanone;1-(2,2,2-trifluoroacetyl)piperidin-4-one (PubChem CID 159196282) has the molecular formula C82H105F7N8O9 and a molecular weight of 1479.77 g/mol. Its IUPAC name is bis(N-(1-acetylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]-3-[4-(2-methylpropoxy)phenyl]propanamide);(4-fluorophenyl)methanamine;1-[4-[(4-fluorophenyl)methylamino]piperidin-1-yl]ethanone;1-(2,2,2-trifluoroacetyl)piperidin-4-one.

Molecular Properties

• Compound Name: bis(N-(1-acetylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]-3-[4-(2-methylpropoxy)phenyl]propanamide);(4-fluorophenyl)methanamine;1-[4-[(4-fluorophenyl)methylamino]piperidin-1-yl]ethanone;1-(2,2,2-trifluoroacetyl)piperidin-4-one
• PubChem CID: 159196282
• Molecular Formula: C82H105F7N8O9
• Molecular Weight: 1479.77 g/mol
• Exact Mass: 1478.79
• IUPAC Name: bis(N-(1-acetylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]-3-[4-(2-methylpropoxy)phenyl]propanamide);(4-fluorophenyl)methanamine;1-[4-[(4-fluorophenyl)methylamino]piperidin-1-yl]ethanone;1-(2,2,2-trifluoroacetyl)piperidin-4-one
• SMILES: CC(=O)N1CCC(N(Cc2ccc(F)cc2)C(=O)CCc2ccc(OCC(C)C)cc2)CC1.CC(=O)N1CCC(N(Cc2ccc(F)cc2)C(=O)CCc2ccc(OCC(C)C)cc2)CC1.CC(=O)N1CCC(NCc2ccc(F)cc2)CC1.NCc1ccc(F)cc1.O=C1CCN(C(=O)C(F)(F)F)CC1
• InChI: InChI=1S/2C27H35FN2O3.C14H19FN2O.C7H8F3NO2.C7H8FN/c2*1-20(2)19-33-26-11-6-22(7-12-26)8-13-27(32)30(18-23-4-9-24(28)10-5-23)25-14-16-29(17-15-25)21(3)31;1-11(18)17-8-6-14(7-9-17)16-10-12-2-4-13(15)5-3-12;8-7(9,10)6(13)11-3-1-5(12)2-4-11;8-7-3-1-6(5-9)2-4-7/h2*4-7,9-12,20,25H,8,13-19H2,1-3H3;2-5,14,16H,6-10H2,1H3;1-4H2;1-4H,5,9H2
• InChIKey: KORXDXAHHTVMBO-UHFFFAOYSA-N
• XLogP: 13.62
• TPSA: 195.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 22
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1479.77
LogP ≤ 5	13.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of bis(N-(1-acetylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]-3-[4-(2-methylpropoxy)phenyl]propanamide);(4-fluorophenyl)methanamine;1-[4-[(4-fluorophenyl)methylamino]piperidin-1-yl]ethanone;1-(2,2,2-trifluoroacetyl)piperidin-4-one?

The IUPAC name of bis(N-(1-acetylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]-3-[4-(2-methylpropoxy)phenyl]propanamide);(4-fluorophenyl)methanamine;1-[4-[(4-fluorophenyl)methylamino]piperidin-1-yl]ethanone;1-(2,2,2-trifluoroacetyl)piperidin-4-one (CID 159196282) is bis(N-(1-acetylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]-3-[4-(2-methylpropoxy)phenyl]propanamide);(4-fluorophenyl)methanamine;1-[4-[(4-fluorophenyl)methylamino]piperidin-1-yl]ethanone;1-(2,2,2-trifluoroacetyl)piperidin-4-one.

What is the SMILES notation for bis(N-(1-acetylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]-3-[4-(2-methylpropoxy)phenyl]propanamide);(4-fluorophenyl)methanamine;1-[4-[(4-fluorophenyl)methylamino]piperidin-1-yl]ethanone;1-(2,2,2-trifluoroacetyl)piperidin-4-one?

The canonical SMILES for bis(N-(1-acetylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]-3-[4-(2-methylpropoxy)phenyl]propanamide);(4-fluorophenyl)methanamine;1-[4-[(4-fluorophenyl)methylamino]piperidin-1-yl]ethanone;1-(2,2,2-trifluoroacetyl)piperidin-4-one is CC(=O)N1CCC(N(Cc2ccc(F)cc2)C(=O)CCc2ccc(OCC(C)C)cc2)CC1.CC(=O)N1CCC(N(Cc2ccc(F)cc2)C(=O)CCc2ccc(OCC(C)C)cc2)CC1.CC(=O)N1CCC(NCc2ccc(F)cc2)CC1.NCc1ccc(F)cc1.O=C1CCN(C(=O)C(F)(F)F)CC1.

What is the InChIKey of bis(N-(1-acetylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]-3-[4-(2-methylpropoxy)phenyl]propanamide);(4-fluorophenyl)methanamine;1-[4-[(4-fluorophenyl)methylamino]piperidin-1-yl]ethanone;1-(2,2,2-trifluoroacetyl)piperidin-4-one?

The InChIKey is KORXDXAHHTVMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H35FN2O3.C14H19FN2O.C7H8F3NO2.C7H8FN/c2*1-20(2)19-33-26-11-6-22(7-12-26)8-13-27(32)30(18-23-4-9-24(28)10-5-23)25-14-16-29(17-15-25)21(3)31;1-11(18)17-8-6-14(7-9-17)16-10-12-2-4-13(15)5-3-12;8-7(9,10)6(13)11-3-1-5(12)2-4-11;8-7-3-1-6(5-9)2-4-7/h2*4-7,9-12,20,25H,8,13-19H2,1-3H3;2-5,14,16H,6-10H2,1H3;1-4H2;1-4H,5,9H2.

What are the key properties of bis(N-(1-acetylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]-3-[4-(2-methylpropoxy)phenyl]propanamide);(4-fluorophenyl)methanamine;1-[4-[(4-fluorophenyl)methylamino]piperidin-1-yl]ethanone;1-(2,2,2-trifluoroacetyl)piperidin-4-one?

bis(N-(1-acetylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]-3-[4-(2-methylpropoxy)phenyl]propanamide);(4-fluorophenyl)methanamine;1-[4-[(4-fluorophenyl)methylamino]piperidin-1-yl]ethanone;1-(2,2,2-trifluoroacetyl)piperidin-4-one has a molecular weight of 1479.77 g/mol, XLogP of 13.62, 22 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-(1-acetylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]-3-[4-(2-methylpropoxy)phenyl]propanamide);(4-fluorophenyl)methanamine;1-[4-[(4-fluorophenyl)methylamino]piperidin-1-yl]ethanone;1-(2,2,2-trifluoroacetyl)piperidin-4-one is sourced from PubChem (CID 159196282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).