2-(1-adamantyl)-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;(2R)-2-cyclohexyl-2-hydroxy-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;2-cyclohexyl-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanethione

C144H167N11O5S — CID 159949910

IUPAC2-(1-adamantyl)-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;(2R)-2-cyclohexyl-2-hydroxy-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;2-cyclohexyl-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanethione
SMILESCc1ccc2c(c1)CCc1cccnc1C2=C1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1.Cc1ccc2c(c1)CCc1cccnc1C2=C1CCN(C(=O)CC2CCCCC2)CC1.Cc1ccc2c(c1)CCc1cccnc1C2=C1CCN(C(=O)CC2C[C@H]3CC[C@@H]2C3)CC1.Cc1ccc2c(c1)CCc1cccnc1C2=C1CCN(C(=O)[C@H](O)C2CCCCC2)CC1.Cc1ccc2c(c1)CCc1cccnc1C2=C1CCN(C(=S)Cc2ccncc2)CC1
InChIInChI=1S/C32H38N2O.C29H34N2O.C28H34N2O2.C28H34N2O.C27H27N3S/c1-21-4-7-28-27(13-21)6-5-26-3-2-10-33-31(26)30(28)25-8-11-34(12-9-25)29(35)20-32-17-22-14-23(18-32)16-24(15-22)19-32;1-19-4-9-26-24(15-19)8-7-22-3-2-12-30-29(22)28(26)21-10-13-31(14-11-21)27(32)18-25-17-20-5-6-23(25)16-20;1-19-9-12-24-23(18-19)11-10-21-8-5-15-29-26(21)25(24)20-13-16-30(17-14-20)28(32)27(31)22-6-3-2-4-7-22;1-20-9-12-25-24(18-20)11-10-23-8-5-15-29-28(23)27(25)22-13-16-30(17-14-22)26(31)19-21-6-3-2-4-7-21;1-19-4-7-24-23(17-19)6-5-22-3-2-12-29-27(22)26(24)21-10-15-30(16-11-21)25(31)18-20-8-13-28-14-9-20/h2-4,7,10,13,22-24H,5-6,8-9,11-12,14-20H2,1H3;2-4,9,12,15,20,23,25H,5-8,10-11,13-14,16-18H2,1H3;5,8-9,12,15,18,22,27,31H,2-4,6-7,10-11,13-14,16-17H2,1H3;5,8-9,12,15,18,21H,2-4,6-7,10-11,13-14,16-17,19H2,1H3;2-4,7-9,12-14,17H,5-6,10-11,15-16,18H2,1H3/t;20-,23+,25?;27-;;/m.01../s1
InChIKeyOBYXDNZMVIFDPR-MFYNGWKLSA-N
MW2164.06 g/mol
LogP28.35
Rot. Bonds10

About 2-(1-adamantyl)-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;(2R)-2-cyclohexyl-2-hydroxy-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;2-cyclohexyl-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanethione

2-(1-adamantyl)-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;(2R)-2-cyclohexyl-2-hydroxy-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;2-cyclohexyl-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanethione (PubChem CID 159949910) has the molecular formula C144H167N11O5S and a molecular weight of 2164.06 g/mol. Its IUPAC name is 2-(1-adamantyl)-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;(2R)-2-cyclohexyl-2-hydroxy-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;2-cyclohexyl-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanethione.

Molecular Properties

Compound Name2-(1-adamantyl)-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;(2R)-2-cyclohexyl-2-hydroxy-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;2-cyclohexyl-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanethione
PubChem CID159949910
Molecular FormulaC144H167N11O5S
Molecular Weight2164.06 g/mol
Exact Mass2162.29
IUPAC Name2-(1-adamantyl)-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;(2R)-2-cyclohexyl-2-hydroxy-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;2-cyclohexyl-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanethione
SMILESCc1ccc2c(c1)CCc1cccnc1C2=C1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1.Cc1ccc2c(c1)CCc1cccnc1C2=C1CCN(C(=O)CC2CCCCC2)CC1.Cc1ccc2c(c1)CCc1cccnc1C2=C1CCN(C(=O)CC2C[C@H]3CC[C@@H]2C3)CC1.Cc1ccc2c(c1)CCc1cccnc1C2=C1CCN(C(=O)[C@H](O)C2CCCCC2)CC1.Cc1ccc2c(c1)CCc1cccnc1C2=C1CCN(C(=S)Cc2ccncc2)CC1
InChIInChI=1S/C32H38N2O.C29H34N2O.C28H34N2O2.C28H34N2O.C27H27N3S/c1-21-4-7-28-27(13-21)6-5-26-3-2-10-33-31(26)30(28)25-8-11-34(12-9-25)29(35)20-32-17-22-14-23(18-32)16-24(15-22)19-32;1-19-4-9-26-24(15-19)8-7-22-3-2-12-30-29(22)28(26)21-10-13-31(14-11-21)27(32)18-25-17-20-5-6-23(25)16-20;1-19-9-12-24-23(18-19)11-10-21-8-5-15-29-26(21)25(24)20-13-16-30(17-14-20)28(32)27(31)22-6-3-2-4-7-22;1-20-9-12-25-24(18-20)11-10-23-8-5-15-29-28(23)27(25)22-13-16-30(17-14-22)26(31)19-21-6-3-2-4-7-21;1-19-4-7-24-23(17-19)6-5-22-3-2-12-29-27(22)26(24)21-10-15-30(16-11-21)25(31)18-20-8-13-28-14-9-20/h2-4,7,10,13,22-24H,5-6,8-9,11-12,14-20H2,1H3;2-4,9,12,15,20,23,25H,5-8,10-11,13-14,16-18H2,1H3;5,8-9,12,15,18,22,27,31H,2-4,6-7,10-11,13-14,16-17H2,1H3;5,8-9,12,15,18,21H,2-4,6-7,10-11,13-14,16-17,19H2,1H3;2-4,7-9,12-14,17H,5-6,10-11,15-16,18H2,1H3/t;20-,23+,25?;27-;;/m.01../s1
InChIKeyOBYXDNZMVIFDPR-MFYNGWKLSA-N
XLogP28.35
TPSA182.05 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002164.06
LogP ≤ 528.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-(1-adamantyl)-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;(2R)-2-cyclohexyl-2-hydroxy-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;2-cyclohexyl-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanethione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;(2R)-2-cyclohexyl-2-hydroxy-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;2-cyclohexyl-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanethione?
The IUPAC name of 2-(1-adamantyl)-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;(2R)-2-cyclohexyl-2-hydroxy-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;2-cyclohexyl-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanethione (CID 159949910) is 2-(1-adamantyl)-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;(2R)-2-cyclohexyl-2-hydroxy-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;2-cyclohexyl-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanethione.
What is the SMILES notation for 2-(1-adamantyl)-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;(2R)-2-cyclohexyl-2-hydroxy-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;2-cyclohexyl-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanethione?
The canonical SMILES for 2-(1-adamantyl)-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;(2R)-2-cyclohexyl-2-hydroxy-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;2-cyclohexyl-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanethione is Cc1ccc2c(c1)CCc1cccnc1C2=C1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1.Cc1ccc2c(c1)CCc1cccnc1C2=C1CCN(C(=O)CC2CCCCC2)CC1.Cc1ccc2c(c1)CCc1cccnc1C2=C1CCN(C(=O)CC2C[C@H]3CC[C@@H]2C3)CC1.Cc1ccc2c(c1)CCc1cccnc1C2=C1CCN(C(=O)[C@H](O)C2CCCCC2)CC1.Cc1ccc2c(c1)CCc1cccnc1C2=C1CCN(C(=S)Cc2ccncc2)CC1.
What is the InChIKey of 2-(1-adamantyl)-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;(2R)-2-cyclohexyl-2-hydroxy-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;2-cyclohexyl-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanethione?
The InChIKey is OBYXDNZMVIFDPR-MFYNGWKLSA-N. The full InChI is InChI=1S/C32H38N2O.C29H34N2O.C28H34N2O2.C28H34N2O.C27H27N3S/c1-21-4-7-28-27(13-21)6-5-26-3-2-10-33-31(26)30(28)25-8-11-34(12-9-25)29(35)20-32-17-22-14-23(18-32)16-24(15-22)19-32;1-19-4-9-26-24(15-19)8-7-22-3-2-12-30-29(22)28(26)21-10-13-31(14-11-21)27(32)18-25-17-20-5-6-23(25)16-20;1-19-9-12-24-23(18-19)11-10-21-8-5-15-29-26(21)25(24)20-13-16-30(17-14-20)28(32)27(31)22-6-3-2-4-7-22;1-20-9-12-25-24(18-20)11-10-23-8-5-15-29-28(23)27(25)22-13-16-30(17-14-22)26(31)19-21-6-3-2-4-7-21;1-19-4-7-24-23(17-19)6-5-22-3-2-12-29-27(22)26(24)21-10-15-30(16-11-21)25(31)18-20-8-13-28-14-9-20/h2-4,7,10,13,22-24H,5-6,8-9,11-12,14-20H2,1H3;2-4,9,12,15,20,23,25H,5-8,10-11,13-14,16-18H2,1H3;5,8-9,12,15,18,22,27,31H,2-4,6-7,10-11,13-14,16-17H2,1H3;5,8-9,12,15,18,21H,2-4,6-7,10-11,13-14,16-17,19H2,1H3;2-4,7-9,12-14,17H,5-6,10-11,15-16,18H2,1H3/t;20-,23+,25?;27-;;/m.01../s1.
What are the key properties of 2-(1-adamantyl)-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;(2R)-2-cyclohexyl-2-hydroxy-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;2-cyclohexyl-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanethione?
2-(1-adamantyl)-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;(2R)-2-cyclohexyl-2-hydroxy-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;2-cyclohexyl-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanethione has a molecular weight of 2164.06 g/mol, XLogP of 28.35, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;(2R)-2-cyclohexyl-2-hydroxy-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;2-cyclohexyl-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone;1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanethione is sourced from PubChem (CID 159949910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).