acetic acid;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-ethyl-3-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperazin-1-yl]-N-propylpropanamide;N-ethyl-3-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperidin-1-yl]-N-propylpropanamide;3-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;2-[1-(4-methylphenyl)piperidin-4-yl]oxy-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]ethanone;1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-1-one

C170H228F9N17O16 — CID 157295613

About acetic acid;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-ethyl-3-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperazin-1-yl]-N-propylpropanamide;N-ethyl-3-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperidin-1-yl]-N-propylpropanamide;3-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;2-[1-(4-methylphenyl)piperidin-4-yl]oxy-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]ethanone;1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-1-one

acetic acid;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-ethyl-3-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperazin-1-yl]-N-propylpropanamide;N-ethyl-3-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperidin-1-yl]-N-propylpropanamide;3-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;2-[1-(4-methylphenyl)piperidin-4-yl]oxy-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]ethanone;1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-1-one (PubChem CID 157295613) has the molecular formula C170H228F9N17O16 and a molecular weight of 2936.78 g/mol. Its IUPAC name is acetic acid;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-ethyl-3-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperazin-1-yl]-N-propylpropanamide;N-ethyl-3-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperidin-1-yl]-N-propylpropanamide;3-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;2-[1-(4-methylphenyl)piperidin-4-yl]oxy-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]ethanone;1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: acetic acid;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-ethyl-3-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperazin-1-yl]-N-propylpropanamide;N-ethyl-3-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperidin-1-yl]-N-propylpropanamide;3-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;2-[1-(4-methylphenyl)piperidin-4-yl]oxy-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]ethanone;1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-1-one
• PubChem CID: 157295613
• Molecular Formula: C170H228F9N17O16
• Molecular Weight: 2936.78 g/mol
• Exact Mass: 2934.74
• IUPAC Name: acetic acid;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-ethyl-3-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperazin-1-yl]-N-propylpropanamide;N-ethyl-3-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperidin-1-yl]-N-propylpropanamide;3-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;2-[1-(4-methylphenyl)piperidin-4-yl]oxy-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]ethanone;1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-1-one
• SMILES: C=CC(=C)NC1CCN(C(=O)CCCN2CCN(c3ccc(C)cc3)CC2)CC1.CC(=O)O.CC(=O)O.CCCN(CC)C(=O)CCN1CCC(c2ccc(OCc3ccc(C)cc3)cc2)CC1.CCCN(CC)C(=O)CCN1CCN(c2ccc(OCc3ccc(C)cc3)cc2)CC1.Cc1ccc(COC2CCN(CCC(=O)N3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCC(OCC(=O)N3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(OC2CCN(C(=O)CCN3CCC(c4ccc(Oc5ccccc5)cc4)CC3)CC2)cc1C(F)(F)F
• InChI: InChI=1S/C33H37F3N2O3.C29H38F3N3O2.C27H34F3N3O2.C27H38N2O2.C26H37N3O2.C24H36N4O.2C2H4O2/c1-24-7-10-30(23-31(24)33(34,35)36)41-29-15-21-38(22-16-29)32(39)17-20-37-18-13-26(14-19-37)25-8-11-28(12-9-25)40-27-5-3-2-4-6-27;1-21-3-6-23(7-4-21)20-37-26-11-14-34(15-12-26)16-13-28(36)35-17-9-24(10-18-35)33-25-8-5-22(2)27(19-25)29(30,31)32;1-19-3-7-23(8-4-19)32-15-11-24(12-16-32)35-18-26(34)33-13-9-21(10-14-33)31-22-6-5-20(2)25(17-22)27(28,29)30;1-4-17-29(5-2)27(30)16-20-28-18-14-25(15-19-28)24-10-12-26(13-11-24)31-21-23-8-6-22(3)7-9-23;1-4-15-28(5-2)26(30)14-16-27-17-19-29(20-18-27)24-10-12-25(13-11-24)31-21-23-8-6-22(3)7-9-23;1-4-21(3)25-22-11-14-28(15-12-22)24(29)6-5-13-26-16-18-27(19-17-26)23-9-7-20(2)8-10-23;2*1-2(3)4/h2-12,23,26,29H,13-22H2,1H3;3-8,19,24,26,33H,9-18,20H2,1-2H3;3-8,17,21,24,31H,9-16,18H2,1-2H3;6-13,25H,4-5,14-21H2,1-3H3;6-13H,4-5,14-21H2,1-3H3;4,7-10,22,25H,1,3,5-6,11-19H2,2H3;2*1H3,(H,3,4)
• InChIKey: XNDHWIPCKVATFR-UHFFFAOYSA-N
• XLogP: 31.76
• TPSA: 313.85 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 50
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2936.78
LogP ≤ 5	31.76
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-ethyl-3-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperazin-1-yl]-N-propylpropanamide;N-ethyl-3-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperidin-1-yl]-N-propylpropanamide;3-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;2-[1-(4-methylphenyl)piperidin-4-yl]oxy-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]ethanone;1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-1-one?

The IUPAC name of acetic acid;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-ethyl-3-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperazin-1-yl]-N-propylpropanamide;N-ethyl-3-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperidin-1-yl]-N-propylpropanamide;3-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;2-[1-(4-methylphenyl)piperidin-4-yl]oxy-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]ethanone;1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-1-one (CID 157295613) is acetic acid;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-ethyl-3-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperazin-1-yl]-N-propylpropanamide;N-ethyl-3-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperidin-1-yl]-N-propylpropanamide;3-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;2-[1-(4-methylphenyl)piperidin-4-yl]oxy-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]ethanone;1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-1-one.

What is the SMILES notation for acetic acid;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-ethyl-3-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperazin-1-yl]-N-propylpropanamide;N-ethyl-3-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperidin-1-yl]-N-propylpropanamide;3-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;2-[1-(4-methylphenyl)piperidin-4-yl]oxy-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]ethanone;1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-1-one?

The canonical SMILES for acetic acid;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-ethyl-3-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperazin-1-yl]-N-propylpropanamide;N-ethyl-3-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperidin-1-yl]-N-propylpropanamide;3-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;2-[1-(4-methylphenyl)piperidin-4-yl]oxy-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]ethanone;1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-1-one is C=CC(=C)NC1CCN(C(=O)CCCN2CCN(c3ccc(C)cc3)CC2)CC1.CC(=O)O.CC(=O)O.CCCN(CC)C(=O)CCN1CCC(c2ccc(OCc3ccc(C)cc3)cc2)CC1.CCCN(CC)C(=O)CCN1CCN(c2ccc(OCc3ccc(C)cc3)cc2)CC1.Cc1ccc(COC2CCN(CCC(=O)N3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCC(OCC(=O)N3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(OC2CCN(C(=O)CCN3CCC(c4ccc(Oc5ccccc5)cc4)CC3)CC2)cc1C(F)(F)F.

What is the InChIKey of acetic acid;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-ethyl-3-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperazin-1-yl]-N-propylpropanamide;N-ethyl-3-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperidin-1-yl]-N-propylpropanamide;3-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;2-[1-(4-methylphenyl)piperidin-4-yl]oxy-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]ethanone;1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-1-one?

The InChIKey is XNDHWIPCKVATFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37F3N2O3.C29H38F3N3O2.C27H34F3N3O2.C27H38N2O2.C26H37N3O2.C24H36N4O.2C2H4O2/c1-24-7-10-30(23-31(24)33(34,35)36)41-29-15-21-38(22-16-29)32(39)17-20-37-18-13-26(14-19-37)25-8-11-28(12-9-25)40-27-5-3-2-4-6-27;1-21-3-6-23(7-4-21)20-37-26-11-14-34(15-12-26)16-13-28(36)35-17-9-24(10-18-35)33-25-8-5-22(2)27(19-25)29(30,31)32;1-19-3-7-23(8-4-19)32-15-11-24(12-16-32)35-18-26(34)33-13-9-21(10-14-33)31-22-6-5-20(2)25(17-22)27(28,29)30;1-4-17-29(5-2)27(30)16-20-28-18-14-25(15-19-28)24-10-12-26(13-11-24)31-21-23-8-6-22(3)7-9-23;1-4-15-28(5-2)26(30)14-16-27-17-19-29(20-18-27)24-10-12-25(13-11-24)31-21-23-8-6-22(3)7-9-23;1-4-21(3)25-22-11-14-28(15-12-22)24(29)6-5-13-26-16-18-27(19-17-26)23-9-7-20(2)8-10-23;2*1-2(3)4/h2-12,23,26,29H,13-22H2,1H3;3-8,19,24,26,33H,9-18,20H2,1-2H3;3-8,17,21,24,31H,9-16,18H2,1-2H3;6-13,25H,4-5,14-21H2,1-3H3;6-13H,4-5,14-21H2,1-3H3;4,7-10,22,25H,1,3,5-6,11-19H2,2H3;2*1H3,(H,3,4).

What are the key properties of acetic acid;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-ethyl-3-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperazin-1-yl]-N-propylpropanamide;N-ethyl-3-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperidin-1-yl]-N-propylpropanamide;3-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;2-[1-(4-methylphenyl)piperidin-4-yl]oxy-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]ethanone;1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-1-one?

acetic acid;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-ethyl-3-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperazin-1-yl]-N-propylpropanamide;N-ethyl-3-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperidin-1-yl]-N-propylpropanamide;3-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;2-[1-(4-methylphenyl)piperidin-4-yl]oxy-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]ethanone;1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-1-one has a molecular weight of 2936.78 g/mol, XLogP of 31.76, 50 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-ethyl-3-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperazin-1-yl]-N-propylpropanamide;N-ethyl-3-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperidin-1-yl]-N-propylpropanamide;3-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;2-[1-(4-methylphenyl)piperidin-4-yl]oxy-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]ethanone;1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 157295613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).