N-[1-[(2R)-1-[benzylsulfonyl(cyclohexyl)amino]propan-2-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide;N-[1-[(2R)-1-(N-benzylsulfonyl-3-fluoroanilino)propan-2-yl]piperidin-4-yl]-2-pyrimidin-2-ylacetamide;N-[1-[(2R)-1-[N-(cyclohexylmethylsulfonyl)-3-fluoroanilino]propan-2-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide;N-[1-[(2R)-1-[N-(cyclohexylmethylsulfonyl)-3-fluoroanilino]propan-2-yl]piperidin-4-yl]-2-(4-isocyanophenyl)acetamide

C115H150F5N15O12S4 — CID 159169117

About N-[1-[(2R)-1-[benzylsulfonyl(cyclohexyl)amino]propan-2-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide;N-[1-[(2R)-1-(N-benzylsulfonyl-3-fluoroanilino)propan-2-yl]piperidin-4-yl]-2-pyrimidin-2-ylacetamide;N-[1-[(2R)-1-[N-(cyclohexylmethylsulfonyl)-3-fluoroanilino]propan-2-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide;N-[1-[(2R)-1-[N-(cyclohexylmethylsulfonyl)-3-fluoroanilino]propan-2-yl]piperidin-4-yl]-2-(4-isocyanophenyl)acetamide

N-[1-[(2R)-1-[benzylsulfonyl(cyclohexyl)amino]propan-2-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide;N-[1-[(2R)-1-(N-benzylsulfonyl-3-fluoroanilino)propan-2-yl]piperidin-4-yl]-2-pyrimidin-2-ylacetamide;N-[1-[(2R)-1-[N-(cyclohexylmethylsulfonyl)-3-fluoroanilino]propan-2-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide;N-[1-[(2R)-1-[N-(cyclohexylmethylsulfonyl)-3-fluoroanilino]propan-2-yl]piperidin-4-yl]-2-(4-isocyanophenyl)acetamide (PubChem CID 159169117) has the molecular formula C115H150F5N15O12S4 and a molecular weight of 2157.82 g/mol. Its IUPAC name is N-[1-[(2R)-1-[benzylsulfonyl(cyclohexyl)amino]propan-2-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide;N-[1-[(2R)-1-(N-benzylsulfonyl-3-fluoroanilino)propan-2-yl]piperidin-4-yl]-2-pyrimidin-2-ylacetamide;N-[1-[(2R)-1-[N-(cyclohexylmethylsulfonyl)-3-fluoroanilino]propan-2-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide;N-[1-[(2R)-1-[N-(cyclohexylmethylsulfonyl)-3-fluoroanilino]propan-2-yl]piperidin-4-yl]-2-(4-isocyanophenyl)acetamide.

Molecular Properties

• Compound Name: N-[1-[(2R)-1-[benzylsulfonyl(cyclohexyl)amino]propan-2-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide;N-[1-[(2R)-1-(N-benzylsulfonyl-3-fluoroanilino)propan-2-yl]piperidin-4-yl]-2-pyrimidin-2-ylacetamide;N-[1-[(2R)-1-[N-(cyclohexylmethylsulfonyl)-3-fluoroanilino]propan-2-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide;N-[1-[(2R)-1-[N-(cyclohexylmethylsulfonyl)-3-fluoroanilino]propan-2-yl]piperidin-4-yl]-2-(4-isocyanophenyl)acetamide
• PubChem CID: 159169117
• Molecular Formula: C115H150F5N15O12S4
• Molecular Weight: 2157.82 g/mol
• Exact Mass: 2156.04
• IUPAC Name: N-[1-[(2R)-1-[benzylsulfonyl(cyclohexyl)amino]propan-2-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide;N-[1-[(2R)-1-(N-benzylsulfonyl-3-fluoroanilino)propan-2-yl]piperidin-4-yl]-2-pyrimidin-2-ylacetamide;N-[1-[(2R)-1-[N-(cyclohexylmethylsulfonyl)-3-fluoroanilino]propan-2-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide;N-[1-[(2R)-1-[N-(cyclohexylmethylsulfonyl)-3-fluoroanilino]propan-2-yl]piperidin-4-yl]-2-(4-isocyanophenyl)acetamide
• SMILES: C[C@H](CN(C1CCCCC1)S(=O)(=O)Cc1ccccc1)N1CCC(NC(=O)Cc2ccc(F)cc2)CC1.C[C@H](CN(c1cccc(F)c1)S(=O)(=O)CC1CCCCC1)N1CCC(NC(=O)Cc2ccc(F)cc2)CC1.C[C@H](CN(c1cccc(F)c1)S(=O)(=O)Cc1ccccc1)N1CCC(NC(=O)Cc2ncccn2)CC1.[C-]#[N+]c1ccc(CC(=O)NC2CCN([C@H](C)CN(c3cccc(F)c3)S(=O)(=O)CC3CCCCC3)CC2)cc1
• InChI: InChI=1S/C30H39FN4O3S.C29H39F2N3O3S.C29H40FN3O3S.C27H32FN5O3S/c1-23(34-17-15-28(16-18-34)33-30(36)19-24-11-13-27(32-2)14-12-24)21-35(29-10-6-9-26(31)20-29)39(37,38)22-25-7-4-3-5-8-25;1-22(33-16-14-27(15-17-33)32-29(35)18-23-10-12-25(30)13-11-23)20-34(28-9-5-8-26(31)19-28)38(36,37)21-24-6-3-2-4-7-24;1-23(32-18-16-27(17-19-32)31-29(34)20-24-12-14-26(30)15-13-24)21-33(28-10-6-3-7-11-28)37(35,36)22-25-8-4-2-5-9-25;1-21(32-15-11-24(12-16-32)31-27(34)18-26-29-13-6-14-30-26)19-33(25-10-5-9-23(28)17-25)37(35,36)20-22-7-3-2-4-8-22/h6,9-14,20,23,25,28H,3-5,7-8,15-19,21-22H2,1H3,(H,33,36);5,8-13,19,22,24,27H,2-4,6-7,14-18,20-21H2,1H3,(H,32,35);2,4-5,8-9,12-15,23,27-28H,3,6-7,10-11,16-22H2,1H3,(H,31,34);2-10,13-14,17,21,24H,11-12,15-16,18-20H2,1H3,(H,31,34)/t23-;22-;23-;21-/m1111/s1
• InChIKey: KLLOBIIVUUGPGZ-CLIPWRFJSA-N
• XLogP: 17.86
• TPSA: 309.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 40
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2157.82
LogP ≤ 5	17.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R)-1-[benzylsulfonyl(cyclohexyl)amino]propan-2-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide;N-[1-[(2R)-1-(N-benzylsulfonyl-3-fluoroanilino)propan-2-yl]piperidin-4-yl]-2-pyrimidin-2-ylacetamide;N-[1-[(2R)-1-[N-(cyclohexylmethylsulfonyl)-3-fluoroanilino]propan-2-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide;N-[1-[(2R)-1-[N-(cyclohexylmethylsulfonyl)-3-fluoroanilino]propan-2-yl]piperidin-4-yl]-2-(4-isocyanophenyl)acetamide?

The IUPAC name of N-[1-[(2R)-1-[benzylsulfonyl(cyclohexyl)amino]propan-2-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide;N-[1-[(2R)-1-(N-benzylsulfonyl-3-fluoroanilino)propan-2-yl]piperidin-4-yl]-2-pyrimidin-2-ylacetamide;N-[1-[(2R)-1-[N-(cyclohexylmethylsulfonyl)-3-fluoroanilino]propan-2-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide;N-[1-[(2R)-1-[N-(cyclohexylmethylsulfonyl)-3-fluoroanilino]propan-2-yl]piperidin-4-yl]-2-(4-isocyanophenyl)acetamide (CID 159169117) is N-[1-[(2R)-1-[benzylsulfonyl(cyclohexyl)amino]propan-2-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide;N-[1-[(2R)-1-(N-benzylsulfonyl-3-fluoroanilino)propan-2-yl]piperidin-4-yl]-2-pyrimidin-2-ylacetamide;N-[1-[(2R)-1-[N-(cyclohexylmethylsulfonyl)-3-fluoroanilino]propan-2-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide;N-[1-[(2R)-1-[N-(cyclohexylmethylsulfonyl)-3-fluoroanilino]propan-2-yl]piperidin-4-yl]-2-(4-isocyanophenyl)acetamide.

What is the SMILES notation for N-[1-[(2R)-1-[benzylsulfonyl(cyclohexyl)amino]propan-2-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide;N-[1-[(2R)-1-(N-benzylsulfonyl-3-fluoroanilino)propan-2-yl]piperidin-4-yl]-2-pyrimidin-2-ylacetamide;N-[1-[(2R)-1-[N-(cyclohexylmethylsulfonyl)-3-fluoroanilino]propan-2-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide;N-[1-[(2R)-1-[N-(cyclohexylmethylsulfonyl)-3-fluoroanilino]propan-2-yl]piperidin-4-yl]-2-(4-isocyanophenyl)acetamide?

The canonical SMILES for N-[1-[(2R)-1-[benzylsulfonyl(cyclohexyl)amino]propan-2-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide;N-[1-[(2R)-1-(N-benzylsulfonyl-3-fluoroanilino)propan-2-yl]piperidin-4-yl]-2-pyrimidin-2-ylacetamide;N-[1-[(2R)-1-[N-(cyclohexylmethylsulfonyl)-3-fluoroanilino]propan-2-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide;N-[1-[(2R)-1-[N-(cyclohexylmethylsulfonyl)-3-fluoroanilino]propan-2-yl]piperidin-4-yl]-2-(4-isocyanophenyl)acetamide is C[C@H](CN(C1CCCCC1)S(=O)(=O)Cc1ccccc1)N1CCC(NC(=O)Cc2ccc(F)cc2)CC1.C[C@H](CN(c1cccc(F)c1)S(=O)(=O)CC1CCCCC1)N1CCC(NC(=O)Cc2ccc(F)cc2)CC1.C[C@H](CN(c1cccc(F)c1)S(=O)(=O)Cc1ccccc1)N1CCC(NC(=O)Cc2ncccn2)CC1.[C-]#[N+]c1ccc(CC(=O)NC2CCN([C@H](C)CN(c3cccc(F)c3)S(=O)(=O)CC3CCCCC3)CC2)cc1.

What is the InChIKey of N-[1-[(2R)-1-[benzylsulfonyl(cyclohexyl)amino]propan-2-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide;N-[1-[(2R)-1-(N-benzylsulfonyl-3-fluoroanilino)propan-2-yl]piperidin-4-yl]-2-pyrimidin-2-ylacetamide;N-[1-[(2R)-1-[N-(cyclohexylmethylsulfonyl)-3-fluoroanilino]propan-2-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide;N-[1-[(2R)-1-[N-(cyclohexylmethylsulfonyl)-3-fluoroanilino]propan-2-yl]piperidin-4-yl]-2-(4-isocyanophenyl)acetamide?

The InChIKey is KLLOBIIVUUGPGZ-CLIPWRFJSA-N. The full InChI is InChI=1S/C30H39FN4O3S.C29H39F2N3O3S.C29H40FN3O3S.C27H32FN5O3S/c1-23(34-17-15-28(16-18-34)33-30(36)19-24-11-13-27(32-2)14-12-24)21-35(29-10-6-9-26(31)20-29)39(37,38)22-25-7-4-3-5-8-25;1-22(33-16-14-27(15-17-33)32-29(35)18-23-10-12-25(30)13-11-23)20-34(28-9-5-8-26(31)19-28)38(36,37)21-24-6-3-2-4-7-24;1-23(32-18-16-27(17-19-32)31-29(34)20-24-12-14-26(30)15-13-24)21-33(28-10-6-3-7-11-28)37(35,36)22-25-8-4-2-5-9-25;1-21(32-15-11-24(12-16-32)31-27(34)18-26-29-13-6-14-30-26)19-33(25-10-5-9-23(28)17-25)37(35,36)20-22-7-3-2-4-8-22/h6,9-14,20,23,25,28H,3-5,7-8,15-19,21-22H2,1H3,(H,33,36);5,8-13,19,22,24,27H,2-4,6-7,14-18,20-21H2,1H3,(H,32,35);2,4-5,8-9,12-15,23,27-28H,3,6-7,10-11,16-22H2,1H3,(H,31,34);2-10,13-14,17,21,24H,11-12,15-16,18-20H2,1H3,(H,31,34)/t23-;22-;23-;21-/m1111/s1.

What are the key properties of N-[1-[(2R)-1-[benzylsulfonyl(cyclohexyl)amino]propan-2-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide;N-[1-[(2R)-1-(N-benzylsulfonyl-3-fluoroanilino)propan-2-yl]piperidin-4-yl]-2-pyrimidin-2-ylacetamide;N-[1-[(2R)-1-[N-(cyclohexylmethylsulfonyl)-3-fluoroanilino]propan-2-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide;N-[1-[(2R)-1-[N-(cyclohexylmethylsulfonyl)-3-fluoroanilino]propan-2-yl]piperidin-4-yl]-2-(4-isocyanophenyl)acetamide?

N-[1-[(2R)-1-[benzylsulfonyl(cyclohexyl)amino]propan-2-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide;N-[1-[(2R)-1-(N-benzylsulfonyl-3-fluoroanilino)propan-2-yl]piperidin-4-yl]-2-pyrimidin-2-ylacetamide;N-[1-[(2R)-1-[N-(cyclohexylmethylsulfonyl)-3-fluoroanilino]propan-2-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide;N-[1-[(2R)-1-[N-(cyclohexylmethylsulfonyl)-3-fluoroanilino]propan-2-yl]piperidin-4-yl]-2-(4-isocyanophenyl)acetamide has a molecular weight of 2157.82 g/mol, XLogP of 17.86, 40 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2R)-1-[benzylsulfonyl(cyclohexyl)amino]propan-2-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide;N-[1-[(2R)-1-(N-benzylsulfonyl-3-fluoroanilino)propan-2-yl]piperidin-4-yl]-2-pyrimidin-2-ylacetamide;N-[1-[(2R)-1-[N-(cyclohexylmethylsulfonyl)-3-fluoroanilino]propan-2-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide;N-[1-[(2R)-1-[N-(cyclohexylmethylsulfonyl)-3-fluoroanilino]propan-2-yl]piperidin-4-yl]-2-(4-isocyanophenyl)acetamide is sourced from PubChem (CID 159169117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).