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;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;4-[2-[4-(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]-N-methylpiperidine-1-carbothioamide;4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-(1-methylpiperidin-3-yl)piperazine-1-carboxamide

C134H169Br3Cl3N23O7S — CID 158002939

IUPAC2-(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;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;4-[2-[4-(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]-N-methylpiperidine-1-carbothioamide;4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-(1-methylpiperidin-3-yl)piperazine-1-carboxamide
SMILESCC(=O)N1CCC(CC(=O)N2CCN(C3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)CC1.CNC(=S)N1CCC(CC(=O)N2CCN(C3c4ccc(Cl)cc4CCc4cccnc43)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.Cc1ccc2c(c1)CCc1cccnc1C2N1CCN(C(=O)NC2CCCN(C)C2)CC1
InChIInChI=1S/C28H35BrClN5O2.C27H32BrClN4O2.C27H34ClN5OS.C26H33BrN4O.C26H35N5O/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;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;1-29-27(35)33-11-8-19(9-12-33)17-24(34)31-13-15-32(16-14-31)26-23-7-6-22(28)18-21(23)5-4-20-3-2-10-30-25(20)26;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;1-19-7-10-23-21(17-19)9-8-20-5-3-11-27-24(20)25(23)30-13-15-31(16-14-30)26(32)28-22-6-4-12-29(2)18-22/h4-5,15-19,27H,2-3,6-14,31H2,1H3;4-5,15-17,19,27H,2-3,6-14H2,1H3;2-3,6-7,10,18-19,26H,4-5,8-9,11-17H2,1H3,(H,29,35);2,5,14,16-17,19,26,28H,3-4,6-13,15H2,1H3;3,5,7,10-11,17,22,25H,4,6,8-9,12-16,18H2,1-2H3,(H,28,32)/t18-,27?;;;;/m0..../s1
InChIKeyFDYIKVNJBSRJOP-DULIESIGSA-N
MW2592.12 g/mol
LogP18.83
Rot. Bonds15

About 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;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;4-[2-[4-(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]-N-methylpiperidine-1-carbothioamide;4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-(1-methylpiperidin-3-yl)piperazine-1-carboxamide

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;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;4-[2-[4-(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]-N-methylpiperidine-1-carbothioamide;4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-(1-methylpiperidin-3-yl)piperazine-1-carboxamide (PubChem CID 158002939) has the molecular formula C134H169Br3Cl3N23O7S and a molecular weight of 2592.12 g/mol. Its IUPAC name is 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;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;4-[2-[4-(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]-N-methylpiperidine-1-carbothioamide;4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-(1-methylpiperidin-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name2-(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;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;4-[2-[4-(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]-N-methylpiperidine-1-carbothioamide;4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-(1-methylpiperidin-3-yl)piperazine-1-carboxamide
PubChem CID158002939
Molecular FormulaC134H169Br3Cl3N23O7S
Molecular Weight2592.12 g/mol
Exact Mass2585.99
IUPAC Name2-(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;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;4-[2-[4-(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]-N-methylpiperidine-1-carbothioamide;4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-(1-methylpiperidin-3-yl)piperazine-1-carboxamide
SMILESCC(=O)N1CCC(CC(=O)N2CCN(C3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)CC1.CNC(=S)N1CCC(CC(=O)N2CCN(C3c4ccc(Cl)cc4CCc4cccnc43)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.Cc1ccc2c(c1)CCc1cccnc1C2N1CCN(C(=O)NC2CCCN(C)C2)CC1
InChIInChI=1S/C28H35BrClN5O2.C27H32BrClN4O2.C27H34ClN5OS.C26H33BrN4O.C26H35N5O/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;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;1-29-27(35)33-11-8-19(9-12-33)17-24(34)31-13-15-32(16-14-31)26-23-7-6-22(28)18-21(23)5-4-20-3-2-10-30-25(20)26;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;1-19-7-10-23-21(17-19)9-8-20-5-3-11-27-24(20)25(23)30-13-15-31(16-14-30)26(32)28-22-6-4-12-29(2)18-22/h4-5,15-19,27H,2-3,6-14,31H2,1H3;4-5,15-17,19,27H,2-3,6-14H2,1H3;2-3,6-7,10,18-19,26H,4-5,8-9,11-17H2,1H3,(H,29,35);2,5,14,16-17,19,26,28H,3-4,6-13,15H2,1H3;3,5,7,10-11,17,22,25H,4,6,8-9,12-16,18H2,1-2H3,(H,28,32)/t18-,27?;;;;/m0..../s1
InChIKeyFDYIKVNJBSRJOP-DULIESIGSA-N
XLogP18.83
TPSA291.41 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms171
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002592.12
LogP ≤ 518.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 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;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;4-[2-[4-(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]-N-methylpiperidine-1-carbothioamide;4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-(1-methylpiperidin-3-yl)piperazine-1-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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;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;4-[2-[4-(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]-N-methylpiperidine-1-carbothioamide;4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-(1-methylpiperidin-3-yl)piperazine-1-carboxamide?
The IUPAC name of 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;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;4-[2-[4-(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]-N-methylpiperidine-1-carbothioamide;4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-(1-methylpiperidin-3-yl)piperazine-1-carboxamide (CID 158002939) is 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;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;4-[2-[4-(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]-N-methylpiperidine-1-carbothioamide;4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-(1-methylpiperidin-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 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;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;4-[2-[4-(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]-N-methylpiperidine-1-carbothioamide;4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-(1-methylpiperidin-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 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;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;4-[2-[4-(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]-N-methylpiperidine-1-carbothioamide;4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-(1-methylpiperidin-3-yl)piperazine-1-carboxamide is CC(=O)N1CCC(CC(=O)N2CCN(C3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)CC1.CNC(=S)N1CCC(CC(=O)N2CCN(C3c4ccc(Cl)cc4CCc4cccnc43)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.Cc1ccc2c(c1)CCc1cccnc1C2N1CCN(C(=O)NC2CCCN(C)C2)CC1.
What is the InChIKey of 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;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;4-[2-[4-(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]-N-methylpiperidine-1-carbothioamide;4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-(1-methylpiperidin-3-yl)piperazine-1-carboxamide?
The InChIKey is FDYIKVNJBSRJOP-DULIESIGSA-N. The full InChI is InChI=1S/C28H35BrClN5O2.C27H32BrClN4O2.C27H34ClN5OS.C26H33BrN4O.C26H35N5O/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;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;1-29-27(35)33-11-8-19(9-12-33)17-24(34)31-13-15-32(16-14-31)26-23-7-6-22(28)18-21(23)5-4-20-3-2-10-30-25(20)26;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;1-19-7-10-23-21(17-19)9-8-20-5-3-11-27-24(20)25(23)30-13-15-31(16-14-30)26(32)28-22-6-4-12-29(2)18-22/h4-5,15-19,27H,2-3,6-14,31H2,1H3;4-5,15-17,19,27H,2-3,6-14H2,1H3;2-3,6-7,10,18-19,26H,4-5,8-9,11-17H2,1H3,(H,29,35);2,5,14,16-17,19,26,28H,3-4,6-13,15H2,1H3;3,5,7,10-11,17,22,25H,4,6,8-9,12-16,18H2,1-2H3,(H,28,32)/t18-,27?;;;;/m0..../s1.
What are the key properties of 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;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;4-[2-[4-(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]-N-methylpiperidine-1-carbothioamide;4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-(1-methylpiperidin-3-yl)piperazine-1-carboxamide?
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;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;4-[2-[4-(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]-N-methylpiperidine-1-carbothioamide;4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-(1-methylpiperidin-3-yl)piperazine-1-carboxamide has a molecular weight of 2592.12 g/mol, XLogP of 18.83, 15 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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;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;4-[2-[4-(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]-N-methylpiperidine-1-carbothioamide;4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-(1-methylpiperidin-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 158002939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).