About 5-[4-[4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]butoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]butoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[6-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]hexyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[5-[4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]pentylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[5-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]pentyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
5-[4-[4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]butoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]butoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[6-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]hexyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[5-[4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]pentylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[5-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]pentyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 157070459) has the molecular formula C224H243N21O20
and a molecular weight of 3549.53 g/mol. Its IUPAC name is 5-[4-[4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]butoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]butoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[6-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]hexyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[5-[4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]pentylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[5-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]pentyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione.
Frequently Asked Questions
What is the IUPAC name of 5-[4-[4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]butoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]butoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[6-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]hexyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[5-[4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]pentylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[5-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]pentyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 5-[4-[4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]butoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]butoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[6-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]hexyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[5-[4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]pentylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[5-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]pentyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione (CID 157070459) is 5-[4-[4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]butoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]butoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[6-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]hexyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[5-[4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]pentylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[5-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]pentyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-[4-[4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]butoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]butoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[6-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]hexyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[5-[4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]pentylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[5-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]pentyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-[4-[4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]butoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]butoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[6-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]hexyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[5-[4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]pentylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[5-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]pentyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione is C=C1CCC(N2C(=O)c3ccc(CCCCCCN4CCN(c5ccc([C@H]6c7ccc(O)cc7CC[C@H]6c6ccccc6)cc5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCCCCN4CCN(c5ccc([C@H]6c7ccc(O)cc7CC[C@H]6c6ccccc6)cc5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(NCCCCCN4CCN(c5ccc([C@@H]6c7ccc(O)cc7CC[C@@H]6c6ccccc6)cc5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCCCCN4CCN(c5ccc([C@@H]6c7ccc(O)cc7CC[C@@H]6c6ccccc6)cc5)CC4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCCCCN4CCN(c5ccc([C@H]6c7ccc(O)cc7CC[C@H]6c6ccccc6)cc5)CC4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 5-[4-[4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]butoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]butoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[6-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]hexyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[5-[4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]pentylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[5-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]pentyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is ACJFPCIGXWEAMJ-XJJNKNDLSA-N. The full InChI is InChI=1S/C46H50N4O4.C45H49N5O4.C45H48N4O4.2C44H48N4O4/c1-31-12-23-42(44(52)47-31)50-45(53)40-20-13-32(29-41(40)46(50)54)9-5-2-3-8-24-48-25-27-49(28-26-48)36-17-14-34(15-18-36)43-38(33-10-6-4-7-11-33)21-16-35-30-37(51)19-22-39(35)43;1-30-10-21-41(43(52)47-30)50-44(53)39-19-14-34(29-40(39)45(50)54)46-22-6-3-7-23-48-24-26-49(27-25-48)35-15-11-32(12-16-35)42-37(31-8-4-2-5-9-31)18-13-33-28-36(51)17-20-38(33)42;1-30-11-22-41(43(51)46-30)49-44(52)39-19-12-31(28-40(39)45(49)53)8-4-3-7-23-47-24-26-48(27-25-47)35-16-13-33(14-17-35)42-37(32-9-5-2-6-10-32)20-15-34-29-36(50)18-21-38(34)42;2*1-30-9-20-41(43(50)45-30)48-29-34-28-37(16-19-40(34)44(48)51)52-26-6-5-21-46-22-24-47(25-23-46)35-13-10-32(11-14-35)42-38(31-7-3-2-4-8-31)17-12-33-27-36(49)15-18-39(33)42/h4,6-7,10-11,13-15,17-20,22,29-30,38,42-43,51H,1-3,5,8-9,12,16,21,23-28H2,(H,47,52);2,4-5,8-9,11-12,14-17,19-20,28-29,37,41-42,46,51H,1,3,6-7,10,13,18,21-27H2,(H,47,52);2,5-6,9-10,12-14,16-19,21,28-29,37,41-42,50H,1,3-4,7-8,11,15,20,22-27H2,(H,46,51);2*2-4,7-8,10-11,13-16,18-19,27-28,38,41-42,49H,1,5-6,9,12,17,20-26,29H2,(H,45,50)/t38-,42?,43+;2*37-,41?,42+;2*38-,41?,42+/m01010/s1.
What are the key properties of 5-[4-[4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]butoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]butoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[6-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]hexyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[5-[4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]pentylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[5-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]pentyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?
5-[4-[4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]butoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]butoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[6-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]hexyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[5-[4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]pentylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[5-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]pentyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 3549.53 g/mol, XLogP of 35.76, 52 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]butoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]butoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[6-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]hexyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[5-[4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]pentylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[5-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]pentyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 157070459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).