N-[[1-[(E)-3-(4-bromophenyl)prop-2-enoyl]piperidin-4-yl]methyl]-4-methylbenzamide;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-[4-(2,3-dihydro-1H-1,2,4-triazol-5-yl)phenyl]methanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(2-fluoro-4-methylphenyl)methanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone;[4-(1,1-difluoroethyl)-2-fluorophenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;molecular hydrogen

C110H112BrCl3F7N17O10 — CID 160632734

About N-[[1-[(E)-3-(4-bromophenyl)prop-2-enoyl]piperidin-4-yl]methyl]-4-methylbenzamide;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-[4-(2,3-dihydro-1H-1,2,4-triazol-5-yl)phenyl]methanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(2-fluoro-4-methylphenyl)methanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone;[4-(1,1-difluoroethyl)-2-fluorophenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;molecular hydrogen

N-[[1-[(E)-3-(4-bromophenyl)prop-2-enoyl]piperidin-4-yl]methyl]-4-methylbenzamide;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-[4-(2,3-dihydro-1H-1,2,4-triazol-5-yl)phenyl]methanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(2-fluoro-4-methylphenyl)methanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone;[4-(1,1-difluoroethyl)-2-fluorophenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;molecular hydrogen (PubChem CID 160632734) has the molecular formula C110H112BrCl3F7N17O10 and a molecular weight of 2151.46 g/mol. Its IUPAC name is N-[[1-[(E)-3-(4-bromophenyl)prop-2-enoyl]piperidin-4-yl]methyl]-4-methylbenzamide;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-[4-(2,3-dihydro-1H-1,2,4-triazol-5-yl)phenyl]methanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(2-fluoro-4-methylphenyl)methanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone;[4-(1,1-difluoroethyl)-2-fluorophenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;molecular hydrogen.

Molecular Properties

• Compound Name: N-[[1-[(E)-3-(4-bromophenyl)prop-2-enoyl]piperidin-4-yl]methyl]-4-methylbenzamide;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-[4-(2,3-dihydro-1H-1,2,4-triazol-5-yl)phenyl]methanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(2-fluoro-4-methylphenyl)methanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone;[4-(1,1-difluoroethyl)-2-fluorophenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;molecular hydrogen
• PubChem CID: 160632734
• Molecular Formula: C110H112BrCl3F7N17O10
• Molecular Weight: 2151.46 g/mol
• Exact Mass: 2147.69
• IUPAC Name: N-[[1-[(E)-3-(4-bromophenyl)prop-2-enoyl]piperidin-4-yl]methyl]-4-methylbenzamide;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-[4-(2,3-dihydro-1H-1,2,4-triazol-5-yl)phenyl]methanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(2-fluoro-4-methylphenyl)methanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone;[4-(1,1-difluoroethyl)-2-fluorophenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;molecular hydrogen
• SMILES: CC(F)(F)c1ccc(C(=O)N2CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)c(F)c1.Cc1ccc(C(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c(F)c1.Cc1ccc(C(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1.Cc1ccc(C(=O)NCC2CCN(C(=O)/C=C/c3ccc(Br)cc3)CC2)cc1.O=C(c1ccc(C2=NCNN2)cc1)N1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C23H25BrN2O2.C23H19F6N3O2.C22H21ClN6O2.C21H19ClFN3O2.C21H20ClN3O2.4H2/c1-17-2-7-20(8-3-17)23(28)25-16-19-12-14-26(15-13-19)22(27)11-6-18-4-9-21(24)10-5-18;1-22(25,26)14-2-4-16(17(24)12-14)20(33)31-6-8-32(9-7-31)21(34)19-11-13-10-15(23(27,28)29)3-5-18(13)30-19;23-17-5-6-18-16(11-17)12-19(26-18)22(31)29-9-7-28(8-10-29)21(30)15-3-1-14(2-4-15)20-24-13-25-27-20;1-13-2-4-16(17(23)10-13)20(27)25-6-8-26(9-7-25)21(28)19-12-14-11-15(22)3-5-18(14)24-19;1-14-2-4-15(5-3-14)20(26)24-8-10-25(11-9-24)21(27)19-13-16-12-17(22)6-7-18(16)23-19;;;;/h2-11,19H,12-16H2,1H3,(H,25,28);2-5,10-12,30H,6-9H2,1H3;1-6,11-12,25-26H,7-10,13H2,(H,24,27);2-5,10-12,24H,6-9H2,1H3;2-7,12-13,23H,8-11H2,1H3;4*1H/b11-6+
• InChIKey: RICYBOQZRBIQKU-ZQTICWTKSA-N
• XLogP: 20.29
• TPSA: 311.47 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2151.46
LogP ≤ 5	20.29
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(E)-3-(4-bromophenyl)prop-2-enoyl]piperidin-4-yl]methyl]-4-methylbenzamide;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-[4-(2,3-dihydro-1H-1,2,4-triazol-5-yl)phenyl]methanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(2-fluoro-4-methylphenyl)methanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone;[4-(1,1-difluoroethyl)-2-fluorophenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;molecular hydrogen?

The IUPAC name of N-[[1-[(E)-3-(4-bromophenyl)prop-2-enoyl]piperidin-4-yl]methyl]-4-methylbenzamide;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-[4-(2,3-dihydro-1H-1,2,4-triazol-5-yl)phenyl]methanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(2-fluoro-4-methylphenyl)methanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone;[4-(1,1-difluoroethyl)-2-fluorophenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;molecular hydrogen (CID 160632734) is N-[[1-[(E)-3-(4-bromophenyl)prop-2-enoyl]piperidin-4-yl]methyl]-4-methylbenzamide;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-[4-(2,3-dihydro-1H-1,2,4-triazol-5-yl)phenyl]methanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(2-fluoro-4-methylphenyl)methanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone;[4-(1,1-difluoroethyl)-2-fluorophenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;molecular hydrogen.

What is the SMILES notation for N-[[1-[(E)-3-(4-bromophenyl)prop-2-enoyl]piperidin-4-yl]methyl]-4-methylbenzamide;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-[4-(2,3-dihydro-1H-1,2,4-triazol-5-yl)phenyl]methanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(2-fluoro-4-methylphenyl)methanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone;[4-(1,1-difluoroethyl)-2-fluorophenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;molecular hydrogen?

The canonical SMILES for N-[[1-[(E)-3-(4-bromophenyl)prop-2-enoyl]piperidin-4-yl]methyl]-4-methylbenzamide;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-[4-(2,3-dihydro-1H-1,2,4-triazol-5-yl)phenyl]methanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(2-fluoro-4-methylphenyl)methanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone;[4-(1,1-difluoroethyl)-2-fluorophenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;molecular hydrogen is CC(F)(F)c1ccc(C(=O)N2CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)c(F)c1.Cc1ccc(C(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c(F)c1.Cc1ccc(C(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1.Cc1ccc(C(=O)NCC2CCN(C(=O)/C=C/c3ccc(Br)cc3)CC2)cc1.O=C(c1ccc(C2=NCNN2)cc1)N1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of N-[[1-[(E)-3-(4-bromophenyl)prop-2-enoyl]piperidin-4-yl]methyl]-4-methylbenzamide;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-[4-(2,3-dihydro-1H-1,2,4-triazol-5-yl)phenyl]methanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(2-fluoro-4-methylphenyl)methanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone;[4-(1,1-difluoroethyl)-2-fluorophenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;molecular hydrogen?

The InChIKey is RICYBOQZRBIQKU-ZQTICWTKSA-N. The full InChI is InChI=1S/C23H25BrN2O2.C23H19F6N3O2.C22H21ClN6O2.C21H19ClFN3O2.C21H20ClN3O2.4H2/c1-17-2-7-20(8-3-17)23(28)25-16-19-12-14-26(15-13-19)22(27)11-6-18-4-9-21(24)10-5-18;1-22(25,26)14-2-4-16(17(24)12-14)20(33)31-6-8-32(9-7-31)21(34)19-11-13-10-15(23(27,28)29)3-5-18(13)30-19;23-17-5-6-18-16(11-17)12-19(26-18)22(31)29-9-7-28(8-10-29)21(30)15-3-1-14(2-4-15)20-24-13-25-27-20;1-13-2-4-16(17(23)10-13)20(27)25-6-8-26(9-7-25)21(28)19-12-14-11-15(22)3-5-18(14)24-19;1-14-2-4-15(5-3-14)20(26)24-8-10-25(11-9-24)21(27)19-13-16-12-17(22)6-7-18(16)23-19;;;;/h2-11,19H,12-16H2,1H3,(H,25,28);2-5,10-12,30H,6-9H2,1H3;1-6,11-12,25-26H,7-10,13H2,(H,24,27);2-5,10-12,24H,6-9H2,1H3;2-7,12-13,23H,8-11H2,1H3;4*1H/b11-6+;;;;;;;;.

What are the key properties of N-[[1-[(E)-3-(4-bromophenyl)prop-2-enoyl]piperidin-4-yl]methyl]-4-methylbenzamide;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-[4-(2,3-dihydro-1H-1,2,4-triazol-5-yl)phenyl]methanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(2-fluoro-4-methylphenyl)methanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone;[4-(1,1-difluoroethyl)-2-fluorophenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;molecular hydrogen?

N-[[1-[(E)-3-(4-bromophenyl)prop-2-enoyl]piperidin-4-yl]methyl]-4-methylbenzamide;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-[4-(2,3-dihydro-1H-1,2,4-triazol-5-yl)phenyl]methanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(2-fluoro-4-methylphenyl)methanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone;[4-(1,1-difluoroethyl)-2-fluorophenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;molecular hydrogen has a molecular weight of 2151.46 g/mol, XLogP of 20.29, 15 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[(E)-3-(4-bromophenyl)prop-2-enoyl]piperidin-4-yl]methyl]-4-methylbenzamide;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-[4-(2,3-dihydro-1H-1,2,4-triazol-5-yl)phenyl]methanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(2-fluoro-4-methylphenyl)methanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone;[4-(1,1-difluoroethyl)-2-fluorophenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;molecular hydrogen is sourced from PubChem (CID 160632734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).