bis(2-(1-acetylpiperidin-4-yl)-1-[4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]ethanone);(2S)-2-amino-1-[4-[2-[4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]propan-1-one;4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;1-[4-(6-bromo-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-piperidin-4-ylethanone

C133H163Br5Cl4N22O8 — CID 158749574

About bis(2-(1-acetylpiperidin-4-yl)-1-[4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]ethanone);(2S)-2-amino-1-[4-[2-[4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]propan-1-one;4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;1-[4-(6-bromo-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-piperidin-4-ylethanone

bis(2-(1-acetylpiperidin-4-yl)-1-[4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]ethanone);(2S)-2-amino-1-[4-[2-[4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]propan-1-one;4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;1-[4-(6-bromo-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-piperidin-4-ylethanone (PubChem CID 158749574) has the molecular formula C133H163Br5Cl4N22O8 and a molecular weight of 2739.24 g/mol. Its IUPAC name is bis(2-(1-acetylpiperidin-4-yl)-1-[4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]ethanone);(2S)-2-amino-1-[4-[2-[4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]propan-1-one;4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;1-[4-(6-bromo-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-piperidin-4-ylethanone.

Molecular Properties

• Compound Name: bis(2-(1-acetylpiperidin-4-yl)-1-[4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]ethanone);(2S)-2-amino-1-[4-[2-[4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]propan-1-one;4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;1-[4-(6-bromo-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-piperidin-4-ylethanone
• PubChem CID: 158749574
• Molecular Formula: C133H163Br5Cl4N22O8
• Molecular Weight: 2739.24 g/mol
• Exact Mass: 2730.77
• IUPAC Name: bis(2-(1-acetylpiperidin-4-yl)-1-[4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]ethanone);(2S)-2-amino-1-[4-[2-[4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]propan-1-one;4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;1-[4-(6-bromo-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-piperidin-4-ylethanone
• SMILES: CC(=O)N1CCC(CC(=O)N2CCN(C3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)CC1.CC(=O)N1CCC(CC(=O)N2CCN(C3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)CC1.CN1CCC(NC(=O)N2CCN(C3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)CC1.C[C@H](N)C(=O)N1CCC(CC(=O)N2CCN(C3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)CC1.Cc1ccc2c(c1)CCc1cc(Br)cnc1C2N1CCN(C(=O)CC2CCNCC2)CC1
• InChI: InChI=1S/C28H35BrClN5O2.2C27H32BrClN4O2.C26H33BrN4O.C25H31BrClN5O/c1-18(31)28(37)35-8-6-19(7-9-35)14-25(36)33-10-12-34(13-11-33)27-24-5-4-23(30)16-20(24)2-3-21-15-22(29)17-32-26(21)27;2*1-18(34)31-8-6-19(7-9-31)14-25(35)32-10-12-33(13-11-32)27-24-5-4-23(29)16-20(24)2-3-21-15-22(28)17-30-26(21)27;1-18-2-5-23-20(14-18)3-4-21-16-22(27)17-29-25(21)26(23)31-12-10-30(11-13-31)24(32)15-19-6-8-28-9-7-19;1-30-8-6-21(7-9-30)29-25(33)32-12-10-31(11-13-32)24-22-5-4-20(27)15-17(22)2-3-18-14-19(26)16-28-23(18)24/h4-5,15-19,27H,2-3,6-14,31H2,1H3;2*4-5,15-17,19,27H,2-3,6-14H2,1H3;2,5,14,16-17,19,26,28H,3-4,6-13,15H2,1H3;4-5,14-16,21,24H,2-3,6-13H2,1H3,(H,29,33)/t18-,27?;;;;/m0..../s1
• InChIKey: INHOFJHEXSTCGU-DULIESIGSA-N
• XLogP: 20.74
• TPSA: 296.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2739.24
LogP ≤ 5	20.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of bis(2-(1-acetylpiperidin-4-yl)-1-[4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]ethanone);(2S)-2-amino-1-[4-[2-[4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]propan-1-one;4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;1-[4-(6-bromo-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-piperidin-4-ylethanone?

The IUPAC name of bis(2-(1-acetylpiperidin-4-yl)-1-[4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]ethanone);(2S)-2-amino-1-[4-[2-[4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]propan-1-one;4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;1-[4-(6-bromo-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-piperidin-4-ylethanone (CID 158749574) is bis(2-(1-acetylpiperidin-4-yl)-1-[4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]ethanone);(2S)-2-amino-1-[4-[2-[4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]propan-1-one;4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;1-[4-(6-bromo-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-piperidin-4-ylethanone.

What is the SMILES notation for bis(2-(1-acetylpiperidin-4-yl)-1-[4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]ethanone);(2S)-2-amino-1-[4-[2-[4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]propan-1-one;4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;1-[4-(6-bromo-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-piperidin-4-ylethanone?

The canonical SMILES for bis(2-(1-acetylpiperidin-4-yl)-1-[4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]ethanone);(2S)-2-amino-1-[4-[2-[4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]propan-1-one;4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;1-[4-(6-bromo-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-piperidin-4-ylethanone is CC(=O)N1CCC(CC(=O)N2CCN(C3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)CC1.CC(=O)N1CCC(CC(=O)N2CCN(C3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)CC1.CN1CCC(NC(=O)N2CCN(C3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)CC1.C[C@H](N)C(=O)N1CCC(CC(=O)N2CCN(C3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)CC1.Cc1ccc2c(c1)CCc1cc(Br)cnc1C2N1CCN(C(=O)CC2CCNCC2)CC1.

What is the InChIKey of bis(2-(1-acetylpiperidin-4-yl)-1-[4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]ethanone);(2S)-2-amino-1-[4-[2-[4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]propan-1-one;4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;1-[4-(6-bromo-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-piperidin-4-ylethanone?

The InChIKey is INHOFJHEXSTCGU-DULIESIGSA-N. The full InChI is InChI=1S/C28H35BrClN5O2.2C27H32BrClN4O2.C26H33BrN4O.C25H31BrClN5O/c1-18(31)28(37)35-8-6-19(7-9-35)14-25(36)33-10-12-34(13-11-33)27-24-5-4-23(30)16-20(24)2-3-21-15-22(29)17-32-26(21)27;2*1-18(34)31-8-6-19(7-9-31)14-25(35)32-10-12-33(13-11-32)27-24-5-4-23(29)16-20(24)2-3-21-15-22(28)17-30-26(21)27;1-18-2-5-23-20(14-18)3-4-21-16-22(27)17-29-25(21)26(23)31-12-10-30(11-13-31)24(32)15-19-6-8-28-9-7-19;1-30-8-6-21(7-9-30)29-25(33)32-12-10-31(11-13-32)24-22-5-4-20(27)15-17(22)2-3-18-14-19(26)16-28-23(18)24/h4-5,15-19,27H,2-3,6-14,31H2,1H3;2*4-5,15-17,19,27H,2-3,6-14H2,1H3;2,5,14,16-17,19,26,28H,3-4,6-13,15H2,1H3;4-5,14-16,21,24H,2-3,6-13H2,1H3,(H,29,33)/t18-,27?;;;;/m0..../s1.

What are the key properties of bis(2-(1-acetylpiperidin-4-yl)-1-[4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]ethanone);(2S)-2-amino-1-[4-[2-[4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]propan-1-one;4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;1-[4-(6-bromo-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-piperidin-4-ylethanone?

bis(2-(1-acetylpiperidin-4-yl)-1-[4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]ethanone);(2S)-2-amino-1-[4-[2-[4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]propan-1-one;4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;1-[4-(6-bromo-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-piperidin-4-ylethanone has a molecular weight of 2739.24 g/mol, XLogP of 20.74, 15 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(1-acetylpiperidin-4-yl)-1-[4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]ethanone);(2S)-2-amino-1-[4-[2-[4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]propan-1-one;4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;1-[4-(6-bromo-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-piperidin-4-ylethanone is sourced from PubChem (CID 158749574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).