[3-(cyclopropylmethoxy)thiophen-2-yl]-[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]methanone;[3-(cyclopropylmethoxy)thiophen-2-yl]-[4-methyl-4-[(3R)-3-methyl-4-[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]piperazin-1-yl]piperidin-1-yl]methanone;[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]-(3-propoxythiophen-2-yl)methanone;[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]-(4-propoxythiophen-3-yl)methanone;(3-ethoxythiophen-2-yl)-[4-[(3R)-3-methyl-4-[(1S)-1-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone;[4-[(3R)-3-methyl-4-[(1S)-1-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]-(3-propoxythiophen-2-yl)methanone

C200H247Cl6F6N19O12S6 — CID 158080623

IUPAC[3-(cyclopropylmethoxy)thiophen-2-yl]-[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]methanone;[3-(cyclopropylmethoxy)thiophen-2-yl]-[4-methyl-4-[(3R)-3-methyl-4-[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]piperazin-1-yl]piperidin-1-yl]methanone;[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]-(3-propoxythiophen-2-yl)methanone;[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]-(4-propoxythiophen-3-yl)methanone;(3-ethoxythiophen-2-yl)-[4-[(3R)-3-methyl-4-[(1S)-1-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone;[4-[(3R)-3-methyl-4-[(1S)-1-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]-(3-propoxythiophen-2-yl)methanone
SMILESCCCOc1ccsc1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(-c4cc(Cl)cc(Cl)c4)cc3)[C@H](C)C2)CC1.CCCOc1ccsc1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(CCc4ccc(C(F)(F)F)cc4)cc3)[C@H](C)C2)CC1.CCCOc1cscc1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(-c4cc(Cl)cc(Cl)c4)cc3)[C@H](C)C2)CC1.CCOc1ccsc1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(CCc4ccc(C(F)(F)F)cc4)cc3)[C@H](C)C2)CC1.C[C@@H]1CN(C2(C)CCN(C(=O)c3sccc3OCC3CC3)CC2)CCN1[C@@H](C)c1ccc(-c2ccncc2)cc1.C[C@@H]1CN(C2CCN(C(=O)c3sccc3OCC3CC3)CC2)CCN1[C@@H](C)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C35H44F3N3O2S.C34H42F3N3O2S.C33H39Cl2N3O2S.C33H41Cl2N3O2S.C33H42N4O2S.C32H39Cl2N3O2S/c1-4-22-43-32-17-23-44-33(32)34(42)39-18-15-31(16-19-39)40-20-21-41(25(2)24-40)26(3)29-11-7-27(8-12-29)5-6-28-9-13-30(14-10-28)35(36,37)38;1-4-42-31-17-22-43-32(31)33(41)38-18-15-30(16-19-38)39-20-21-40(24(2)23-39)25(3)28-11-7-26(8-12-28)5-6-27-9-13-29(14-10-27)34(35,36)37;1-22-20-37(30-9-12-36(13-10-30)33(39)32-31(11-16-41-32)40-21-24-3-4-24)14-15-38(22)23(2)25-5-7-26(8-6-25)27-17-28(34)19-29(35)18-27;1-5-17-40-30-10-18-41-31(30)32(39)36-13-11-33(4,12-14-36)37-15-16-38(23(2)22-37)24(3)25-6-8-26(9-7-25)27-19-28(34)21-29(35)20-27;1-24-22-36(19-20-37(24)25(2)27-6-8-28(9-7-27)29-10-15-34-16-11-29)33(3)13-17-35(18-14-33)32(38)31-30(12-21-40-31)39-23-26-4-5-26;1-4-15-39-31-21-40-20-30(31)32(38)35-11-9-29(10-12-35)36-13-14-37(22(2)19-36)23(3)24-5-7-25(8-6-24)26-16-27(33)18-28(34)17-26/h7-14,17,23,25-26,31H,4-6,15-16,18-22,24H2,1-3H3;7-14,17,22,24-25,30H,4-6,15-16,18-21,23H2,1-3H3;5-8,11,16-19,22-24,30H,3-4,9-10,12-15,20-21H2,1-2H3;6-10,18-21,23-24H,5,11-17,22H2,1-4H3;6-12,15-16,21,24-26H,4-5,13-14,17-20,22-23H2,1-3H3;5-8,16-18,20-23,29H,4,9-15,19H2,1-3H3/t25-,26+;24-,25+;22-,23+;23-,24+;24-,25+;22-,23+/m111111/s1
InChIKeyFMXHTMVXYUTCDO-ZKIPOHHOSA-N
MW3628.40 g/mol
LogP45.43
Rot. Bonds51

About [3-(cyclopropylmethoxy)thiophen-2-yl]-[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]methanone;[3-(cyclopropylmethoxy)thiophen-2-yl]-[4-methyl-4-[(3R)-3-methyl-4-[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]piperazin-1-yl]piperidin-1-yl]methanone;[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]-(3-propoxythiophen-2-yl)methanone;[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]-(4-propoxythiophen-3-yl)methanone;(3-ethoxythiophen-2-yl)-[4-[(3R)-3-methyl-4-[(1S)-1-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone;[4-[(3R)-3-methyl-4-[(1S)-1-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]-(3-propoxythiophen-2-yl)methanone

[3-(cyclopropylmethoxy)thiophen-2-yl]-[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]methanone;[3-(cyclopropylmethoxy)thiophen-2-yl]-[4-methyl-4-[(3R)-3-methyl-4-[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]piperazin-1-yl]piperidin-1-yl]methanone;[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]-(3-propoxythiophen-2-yl)methanone;[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]-(4-propoxythiophen-3-yl)methanone;(3-ethoxythiophen-2-yl)-[4-[(3R)-3-methyl-4-[(1S)-1-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone;[4-[(3R)-3-methyl-4-[(1S)-1-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]-(3-propoxythiophen-2-yl)methanone (PubChem CID 158080623) has the molecular formula C200H247Cl6F6N19O12S6 and a molecular weight of 3628.40 g/mol. Its IUPAC name is [3-(cyclopropylmethoxy)thiophen-2-yl]-[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]methanone;[3-(cyclopropylmethoxy)thiophen-2-yl]-[4-methyl-4-[(3R)-3-methyl-4-[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]piperazin-1-yl]piperidin-1-yl]methanone;[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]-(3-propoxythiophen-2-yl)methanone;[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]-(4-propoxythiophen-3-yl)methanone;(3-ethoxythiophen-2-yl)-[4-[(3R)-3-methyl-4-[(1S)-1-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone;[4-[(3R)-3-methyl-4-[(1S)-1-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]-(3-propoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-(cyclopropylmethoxy)thiophen-2-yl]-[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]methanone;[3-(cyclopropylmethoxy)thiophen-2-yl]-[4-methyl-4-[(3R)-3-methyl-4-[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]piperazin-1-yl]piperidin-1-yl]methanone;[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]-(3-propoxythiophen-2-yl)methanone;[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]-(4-propoxythiophen-3-yl)methanone;(3-ethoxythiophen-2-yl)-[4-[(3R)-3-methyl-4-[(1S)-1-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone;[4-[(3R)-3-methyl-4-[(1S)-1-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]-(3-propoxythiophen-2-yl)methanone
PubChem CID158080623
Molecular FormulaC200H247Cl6F6N19O12S6
Molecular Weight3628.40 g/mol
Exact Mass3622.57
IUPAC Name[3-(cyclopropylmethoxy)thiophen-2-yl]-[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]methanone;[3-(cyclopropylmethoxy)thiophen-2-yl]-[4-methyl-4-[(3R)-3-methyl-4-[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]piperazin-1-yl]piperidin-1-yl]methanone;[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]-(3-propoxythiophen-2-yl)methanone;[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]-(4-propoxythiophen-3-yl)methanone;(3-ethoxythiophen-2-yl)-[4-[(3R)-3-methyl-4-[(1S)-1-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone;[4-[(3R)-3-methyl-4-[(1S)-1-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]-(3-propoxythiophen-2-yl)methanone
SMILESCCCOc1ccsc1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(-c4cc(Cl)cc(Cl)c4)cc3)[C@H](C)C2)CC1.CCCOc1ccsc1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(CCc4ccc(C(F)(F)F)cc4)cc3)[C@H](C)C2)CC1.CCCOc1cscc1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(-c4cc(Cl)cc(Cl)c4)cc3)[C@H](C)C2)CC1.CCOc1ccsc1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(CCc4ccc(C(F)(F)F)cc4)cc3)[C@H](C)C2)CC1.C[C@@H]1CN(C2(C)CCN(C(=O)c3sccc3OCC3CC3)CC2)CCN1[C@@H](C)c1ccc(-c2ccncc2)cc1.C[C@@H]1CN(C2CCN(C(=O)c3sccc3OCC3CC3)CC2)CCN1[C@@H](C)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C35H44F3N3O2S.C34H42F3N3O2S.C33H39Cl2N3O2S.C33H41Cl2N3O2S.C33H42N4O2S.C32H39Cl2N3O2S/c1-4-22-43-32-17-23-44-33(32)34(42)39-18-15-31(16-19-39)40-20-21-41(25(2)24-40)26(3)29-11-7-27(8-12-29)5-6-28-9-13-30(14-10-28)35(36,37)38;1-4-42-31-17-22-43-32(31)33(41)38-18-15-30(16-19-38)39-20-21-40(24(2)23-39)25(3)28-11-7-26(8-12-28)5-6-27-9-13-29(14-10-27)34(35,36)37;1-22-20-37(30-9-12-36(13-10-30)33(39)32-31(11-16-41-32)40-21-24-3-4-24)14-15-38(22)23(2)25-5-7-26(8-6-25)27-17-28(34)19-29(35)18-27;1-5-17-40-30-10-18-41-31(30)32(39)36-13-11-33(4,12-14-36)37-15-16-38(23(2)22-37)24(3)25-6-8-26(9-7-25)27-19-28(34)21-29(35)20-27;1-24-22-36(19-20-37(24)25(2)27-6-8-28(9-7-27)29-10-15-34-16-11-29)33(3)13-17-35(18-14-33)32(38)31-30(12-21-40-31)39-23-26-4-5-26;1-4-15-39-31-21-40-20-30(31)32(38)35-11-9-29(10-12-35)36-13-14-37(22(2)19-36)23(3)24-5-7-25(8-6-24)26-16-27(33)18-28(34)17-26/h7-14,17,23,25-26,31H,4-6,15-16,18-22,24H2,1-3H3;7-14,17,22,24-25,30H,4-6,15-16,18-21,23H2,1-3H3;5-8,11,16-19,22-24,30H,3-4,9-10,12-15,20-21H2,1-2H3;6-10,18-21,23-24H,5,11-17,22H2,1-4H3;6-12,15-16,21,24-26H,4-5,13-14,17-20,22-23H2,1-3H3;5-8,16-18,20-23,29H,4,9-15,19H2,1-3H3/t25-,26+;24-,25+;22-,23+;23-,24+;24-,25+;22-,23+/m111111/s1
InChIKeyFMXHTMVXYUTCDO-ZKIPOHHOSA-N
XLogP45.43
TPSA229.01 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds51
Heavy Atoms249
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003628.40
LogP ≤ 545.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze [3-(cyclopropylmethoxy)thiophen-2-yl]-[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]methanone;[3-(cyclopropylmethoxy)thiophen-2-yl]-[4-methyl-4-[(3R)-3-methyl-4-[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]piperazin-1-yl]piperidin-1-yl]methanone;[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]-(3-propoxythiophen-2-yl)methanone;[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]-(4-propoxythiophen-3-yl)methanone;(3-ethoxythiophen-2-yl)-[4-[(3R)-3-methyl-4-[(1S)-1-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone;[4-[(3R)-3-methyl-4-[(1S)-1-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]-(3-propoxythiophen-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethoxy)thiophen-2-yl]-[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]methanone;[3-(cyclopropylmethoxy)thiophen-2-yl]-[4-methyl-4-[(3R)-3-methyl-4-[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]piperazin-1-yl]piperidin-1-yl]methanone;[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]-(3-propoxythiophen-2-yl)methanone;[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]-(4-propoxythiophen-3-yl)methanone;(3-ethoxythiophen-2-yl)-[4-[(3R)-3-methyl-4-[(1S)-1-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone;[4-[(3R)-3-methyl-4-[(1S)-1-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]-(3-propoxythiophen-2-yl)methanone?
The IUPAC name of [3-(cyclopropylmethoxy)thiophen-2-yl]-[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]methanone;[3-(cyclopropylmethoxy)thiophen-2-yl]-[4-methyl-4-[(3R)-3-methyl-4-[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]piperazin-1-yl]piperidin-1-yl]methanone;[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]-(3-propoxythiophen-2-yl)methanone;[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]-(4-propoxythiophen-3-yl)methanone;(3-ethoxythiophen-2-yl)-[4-[(3R)-3-methyl-4-[(1S)-1-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone;[4-[(3R)-3-methyl-4-[(1S)-1-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]-(3-propoxythiophen-2-yl)methanone (CID 158080623) is [3-(cyclopropylmethoxy)thiophen-2-yl]-[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]methanone;[3-(cyclopropylmethoxy)thiophen-2-yl]-[4-methyl-4-[(3R)-3-methyl-4-[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]piperazin-1-yl]piperidin-1-yl]methanone;[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]-(3-propoxythiophen-2-yl)methanone;[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]-(4-propoxythiophen-3-yl)methanone;(3-ethoxythiophen-2-yl)-[4-[(3R)-3-methyl-4-[(1S)-1-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone;[4-[(3R)-3-methyl-4-[(1S)-1-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]-(3-propoxythiophen-2-yl)methanone.
What is the SMILES notation for [3-(cyclopropylmethoxy)thiophen-2-yl]-[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]methanone;[3-(cyclopropylmethoxy)thiophen-2-yl]-[4-methyl-4-[(3R)-3-methyl-4-[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]piperazin-1-yl]piperidin-1-yl]methanone;[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]-(3-propoxythiophen-2-yl)methanone;[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]-(4-propoxythiophen-3-yl)methanone;(3-ethoxythiophen-2-yl)-[4-[(3R)-3-methyl-4-[(1S)-1-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone;[4-[(3R)-3-methyl-4-[(1S)-1-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]-(3-propoxythiophen-2-yl)methanone?
The canonical SMILES for [3-(cyclopropylmethoxy)thiophen-2-yl]-[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]methanone;[3-(cyclopropylmethoxy)thiophen-2-yl]-[4-methyl-4-[(3R)-3-methyl-4-[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]piperazin-1-yl]piperidin-1-yl]methanone;[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]-(3-propoxythiophen-2-yl)methanone;[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]-(4-propoxythiophen-3-yl)methanone;(3-ethoxythiophen-2-yl)-[4-[(3R)-3-methyl-4-[(1S)-1-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone;[4-[(3R)-3-methyl-4-[(1S)-1-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]-(3-propoxythiophen-2-yl)methanone is CCCOc1ccsc1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(-c4cc(Cl)cc(Cl)c4)cc3)[C@H](C)C2)CC1.CCCOc1ccsc1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(CCc4ccc(C(F)(F)F)cc4)cc3)[C@H](C)C2)CC1.CCCOc1cscc1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(-c4cc(Cl)cc(Cl)c4)cc3)[C@H](C)C2)CC1.CCOc1ccsc1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(CCc4ccc(C(F)(F)F)cc4)cc3)[C@H](C)C2)CC1.C[C@@H]1CN(C2(C)CCN(C(=O)c3sccc3OCC3CC3)CC2)CCN1[C@@H](C)c1ccc(-c2ccncc2)cc1.C[C@@H]1CN(C2CCN(C(=O)c3sccc3OCC3CC3)CC2)CCN1[C@@H](C)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of [3-(cyclopropylmethoxy)thiophen-2-yl]-[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]methanone;[3-(cyclopropylmethoxy)thiophen-2-yl]-[4-methyl-4-[(3R)-3-methyl-4-[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]piperazin-1-yl]piperidin-1-yl]methanone;[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]-(3-propoxythiophen-2-yl)methanone;[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]-(4-propoxythiophen-3-yl)methanone;(3-ethoxythiophen-2-yl)-[4-[(3R)-3-methyl-4-[(1S)-1-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone;[4-[(3R)-3-methyl-4-[(1S)-1-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]-(3-propoxythiophen-2-yl)methanone?
The InChIKey is FMXHTMVXYUTCDO-ZKIPOHHOSA-N. The full InChI is InChI=1S/C35H44F3N3O2S.C34H42F3N3O2S.C33H39Cl2N3O2S.C33H41Cl2N3O2S.C33H42N4O2S.C32H39Cl2N3O2S/c1-4-22-43-32-17-23-44-33(32)34(42)39-18-15-31(16-19-39)40-20-21-41(25(2)24-40)26(3)29-11-7-27(8-12-29)5-6-28-9-13-30(14-10-28)35(36,37)38;1-4-42-31-17-22-43-32(31)33(41)38-18-15-30(16-19-38)39-20-21-40(24(2)23-39)25(3)28-11-7-26(8-12-28)5-6-27-9-13-29(14-10-27)34(35,36)37;1-22-20-37(30-9-12-36(13-10-30)33(39)32-31(11-16-41-32)40-21-24-3-4-24)14-15-38(22)23(2)25-5-7-26(8-6-25)27-17-28(34)19-29(35)18-27;1-5-17-40-30-10-18-41-31(30)32(39)36-13-11-33(4,12-14-36)37-15-16-38(23(2)22-37)24(3)25-6-8-26(9-7-25)27-19-28(34)21-29(35)20-27;1-24-22-36(19-20-37(24)25(2)27-6-8-28(9-7-27)29-10-15-34-16-11-29)33(3)13-17-35(18-14-33)32(38)31-30(12-21-40-31)39-23-26-4-5-26;1-4-15-39-31-21-40-20-30(31)32(38)35-11-9-29(10-12-35)36-13-14-37(22(2)19-36)23(3)24-5-7-25(8-6-24)26-16-27(33)18-28(34)17-26/h7-14,17,23,25-26,31H,4-6,15-16,18-22,24H2,1-3H3;7-14,17,22,24-25,30H,4-6,15-16,18-21,23H2,1-3H3;5-8,11,16-19,22-24,30H,3-4,9-10,12-15,20-21H2,1-2H3;6-10,18-21,23-24H,5,11-17,22H2,1-4H3;6-12,15-16,21,24-26H,4-5,13-14,17-20,22-23H2,1-3H3;5-8,16-18,20-23,29H,4,9-15,19H2,1-3H3/t25-,26+;24-,25+;22-,23+;23-,24+;24-,25+;22-,23+/m111111/s1.
What are the key properties of [3-(cyclopropylmethoxy)thiophen-2-yl]-[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]methanone;[3-(cyclopropylmethoxy)thiophen-2-yl]-[4-methyl-4-[(3R)-3-methyl-4-[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]piperazin-1-yl]piperidin-1-yl]methanone;[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]-(3-propoxythiophen-2-yl)methanone;[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]-(4-propoxythiophen-3-yl)methanone;(3-ethoxythiophen-2-yl)-[4-[(3R)-3-methyl-4-[(1S)-1-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone;[4-[(3R)-3-methyl-4-[(1S)-1-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]-(3-propoxythiophen-2-yl)methanone?
[3-(cyclopropylmethoxy)thiophen-2-yl]-[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]methanone;[3-(cyclopropylmethoxy)thiophen-2-yl]-[4-methyl-4-[(3R)-3-methyl-4-[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]piperazin-1-yl]piperidin-1-yl]methanone;[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]-(3-propoxythiophen-2-yl)methanone;[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]-(4-propoxythiophen-3-yl)methanone;(3-ethoxythiophen-2-yl)-[4-[(3R)-3-methyl-4-[(1S)-1-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone;[4-[(3R)-3-methyl-4-[(1S)-1-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]-(3-propoxythiophen-2-yl)methanone has a molecular weight of 3628.40 g/mol, XLogP of 45.43, 51 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethoxy)thiophen-2-yl]-[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]methanone;[3-(cyclopropylmethoxy)thiophen-2-yl]-[4-methyl-4-[(3R)-3-methyl-4-[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]piperazin-1-yl]piperidin-1-yl]methanone;[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]-(3-propoxythiophen-2-yl)methanone;[4-[(3R)-4-[(1S)-1-[4-(3,5-dichlorophenyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]-(4-propoxythiophen-3-yl)methanone;(3-ethoxythiophen-2-yl)-[4-[(3R)-3-methyl-4-[(1S)-1-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone;[4-[(3R)-3-methyl-4-[(1S)-1-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]-(3-propoxythiophen-2-yl)methanone is sourced from PubChem (CID 158080623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).