2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[4-(difluoromethoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone;bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[4-(2,2-dimethylpropoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone);bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone)

C165H225F10N15O15 — CID 159642988

About 2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[4-(difluoromethoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone;bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[4-(2,2-dimethylpropoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone);bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone)

2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[4-(difluoromethoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone;bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[4-(2,2-dimethylpropoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone);bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone) (PubChem CID 159642988) has the molecular formula C165H225F10N15O15 and a molecular weight of 2848.68 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[4-(difluoromethoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone;bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[4-(2,2-dimethylpropoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone);bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone).

Molecular Properties

• Compound Name: 2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[4-(difluoromethoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone;bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[4-(2,2-dimethylpropoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone);bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone)
• PubChem CID: 159642988
• Molecular Formula: C165H225F10N15O15
• Molecular Weight: 2848.68 g/mol
• Exact Mass: 2846.71
• IUPAC Name: 2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[4-(difluoromethoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone;bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[4-(2,2-dimethylpropoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone);bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone)
• SMILES: CC(=O)N1CCC(CC(=O)N2CCN(C(c3ccccc3)c3ccc(OC(F)F)cc3)C[C@@H]2C(C)(C)C)CC1.CC(=O)N1CCC(CC(=O)N2CCN(C(c3ccccc3)c3ccc(OCC(C)(C)C)cc3)C[C@@H]2C(C)(C)C)CC1.CC(=O)N1CCC(CC(=O)N2CCN(C(c3ccccc3)c3ccc(OCC(C)(C)C)cc3)C[C@@H]2C(C)(C)C)CC1.CC(=O)N1CCC(CC(=O)N2CCN(C(c3ccccc3)c3ccc(OCC(F)(F)F)c(F)c3)C[C@@H]2C(C)(C)C)CC1.CC(=O)N1CCC(CC(=O)N2CCN(C(c3ccccc3)c3ccc(OCC(F)(F)F)c(F)c3)C[C@@H]2C(C)(C)C)CC1
• InChI: InChI=1S/2C35H51N3O3.2C32H41F4N3O3.C31H41F2N3O3/c2*1-26(39)36-19-17-27(18-20-36)23-32(40)38-22-21-37(24-31(38)35(5,6)7)33(28-11-9-8-10-12-28)29-13-15-30(16-14-29)41-25-34(2,3)4;2*1-22(40)37-14-12-23(13-15-37)18-29(41)39-17-16-38(20-28(39)31(2,3)4)30(24-8-6-5-7-9-24)25-10-11-27(26(33)19-25)42-21-32(34,35)36;1-22(37)34-16-14-23(15-17-34)20-28(38)36-19-18-35(21-27(36)31(2,3)4)29(24-8-6-5-7-9-24)25-10-12-26(13-11-25)39-30(32)33/h2*8-16,27,31,33H,17-25H2,1-7H3;2*5-11,19,23,28,30H,12-18,20-21H2,1-4H3;5-13,23,27,29-30H,14-21H2,1-4H3/t2*31-,33?;2*28-,30?;27-,29?/m11111/s1
• InChIKey: MQPBGUSMMFGPPR-PGHKFJQYSA-N
• XLogP: 30.53
• TPSA: 265.45 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 35
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2848.68
LogP ≤ 5	30.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[4-(difluoromethoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone;bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[4-(2,2-dimethylpropoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone);bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone)?

The IUPAC name of 2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[4-(difluoromethoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone;bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[4-(2,2-dimethylpropoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone);bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone) (CID 159642988) is 2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[4-(difluoromethoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone;bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[4-(2,2-dimethylpropoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone);bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone).

What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[4-(difluoromethoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone;bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[4-(2,2-dimethylpropoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone);bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone)?

The canonical SMILES for 2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[4-(difluoromethoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone;bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[4-(2,2-dimethylpropoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone);bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone) is CC(=O)N1CCC(CC(=O)N2CCN(C(c3ccccc3)c3ccc(OC(F)F)cc3)C[C@@H]2C(C)(C)C)CC1.CC(=O)N1CCC(CC(=O)N2CCN(C(c3ccccc3)c3ccc(OCC(C)(C)C)cc3)C[C@@H]2C(C)(C)C)CC1.CC(=O)N1CCC(CC(=O)N2CCN(C(c3ccccc3)c3ccc(OCC(C)(C)C)cc3)C[C@@H]2C(C)(C)C)CC1.CC(=O)N1CCC(CC(=O)N2CCN(C(c3ccccc3)c3ccc(OCC(F)(F)F)c(F)c3)C[C@@H]2C(C)(C)C)CC1.CC(=O)N1CCC(CC(=O)N2CCN(C(c3ccccc3)c3ccc(OCC(F)(F)F)c(F)c3)C[C@@H]2C(C)(C)C)CC1.

What is the InChIKey of 2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[4-(difluoromethoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone;bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[4-(2,2-dimethylpropoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone);bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone)?

The InChIKey is MQPBGUSMMFGPPR-PGHKFJQYSA-N. The full InChI is InChI=1S/2C35H51N3O3.2C32H41F4N3O3.C31H41F2N3O3/c2*1-26(39)36-19-17-27(18-20-36)23-32(40)38-22-21-37(24-31(38)35(5,6)7)33(28-11-9-8-10-12-28)29-13-15-30(16-14-29)41-25-34(2,3)4;2*1-22(40)37-14-12-23(13-15-37)18-29(41)39-17-16-38(20-28(39)31(2,3)4)30(24-8-6-5-7-9-24)25-10-11-27(26(33)19-25)42-21-32(34,35)36;1-22(37)34-16-14-23(15-17-34)20-28(38)36-19-18-35(21-27(36)31(2,3)4)29(24-8-6-5-7-9-24)25-10-12-26(13-11-25)39-30(32)33/h2*8-16,27,31,33H,17-25H2,1-7H3;2*5-11,19,23,28,30H,12-18,20-21H2,1-4H3;5-13,23,27,29-30H,14-21H2,1-4H3/t2*31-,33?;2*28-,30?;27-,29?/m11111/s1.

What are the key properties of 2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[4-(difluoromethoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone;bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[4-(2,2-dimethylpropoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone);bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone)?

2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[4-(difluoromethoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone;bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[4-(2,2-dimethylpropoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone);bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone) has a molecular weight of 2848.68 g/mol, XLogP of 30.53, 35 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[4-(difluoromethoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone;bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[4-(2,2-dimethylpropoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone);bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone) is sourced from PubChem (CID 159642988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).