5-(1-benzyl-2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-(2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-ethoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-methoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-[(4-oxocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]-3H-isoindol-1-one;4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]cyclohexane-1-carbonitrile

C181H215N25O18 — CID 165105980

IUPAC5-(1-benzyl-2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-(2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-ethoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-methoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-[(4-oxocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]-3H-isoindol-1-one;4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]cyclohexane-1-carbonitrile
SMILESC=C1CCC(N2Cc3cc(C4CC(C)N(Cc5ccccc5)C(C)C4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(C4CC(C)NC(C)C4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(C4CCN(CC5=CCC(=O)C=C5)CC4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(C4CCN(CC5CCC(C#N)CC5)CC4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(C4CCN(Cc5ccc(OC)cn5)CC4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(C4CCN(Cc5ccc(OC)nc5)CC4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(C4CCN(Cc5ccc(OCC)cn5)CC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C28H33N3O2.C27H32N4O3.C27H34N4O2.2C26H30N4O3.C26H29N3O3.C21H27N3O2/c1-18-9-12-26(27(32)29-18)31-17-24-15-22(10-11-25(24)28(31)33)23-13-19(2)30(20(3)14-23)16-21-7-5-4-6-8-21;1-3-34-23-7-6-22(28-15-23)17-30-12-10-19(11-13-30)20-5-8-24-21(14-20)16-31(27(24)33)25-9-4-18(2)29-26(25)32;1-18-2-9-25(26(32)29-18)31-17-23-14-22(7-8-24(23)27(31)33)21-10-12-30(13-11-21)16-20-5-3-19(15-28)4-6-20;1-17-3-8-24(25(31)28-17)30-15-20-13-19(4-7-23(20)26(30)32)18-9-11-29(12-10-18)16-21-5-6-22(33-2)14-27-21;1-17-3-7-23(25(31)28-17)30-16-21-13-20(5-6-22(21)26(30)32)19-9-11-29(12-10-19)15-18-4-8-24(33-2)27-14-18;1-17-2-9-24(25(31)27-17)29-16-21-14-20(5-8-23(21)26(29)32)19-10-12-28(13-11-19)15-18-3-6-22(30)7-4-18;1-12-4-7-19(20(25)23-12)24-11-17-10-15(5-6-18(17)21(24)26)16-8-13(2)22-14(3)9-16/h4-8,10-11,15,19-20,23,26H,1,9,12-14,16-17H2,2-3H3,(H,29,32);5-8,14-15,19,25H,2-4,9-13,16-17H2,1H3,(H,29,32);7-8,14,19-21,25H,1-6,9-13,16-17H2,(H,29,32);4-7,13-14,18,24H,1,3,8-12,15-16H2,2H3,(H,28,31);4-6,8,13-14,19,23H,1,3,7,9-12,15-16H2,2H3,(H,28,31);3-6,8,14,19,24H,1-2,7,9-13,15-16H2,(H,27,31);5-6,10,13-14,16,19,22H,1,4,7-9,11H2,2-3H3,(H,23,25)
InChIKeyZDCINSSBCPQPGY-UHFFFAOYSA-N
MW3028.87 g/mol
LogP24.33
Rot. Bonds30

About 5-(1-benzyl-2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-(2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-ethoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-methoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-[(4-oxocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]-3H-isoindol-1-one;4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]cyclohexane-1-carbonitrile

5-(1-benzyl-2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-(2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-ethoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-methoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-[(4-oxocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]-3H-isoindol-1-one;4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]cyclohexane-1-carbonitrile (PubChem CID 165105980) has the molecular formula C181H215N25O18 and a molecular weight of 3028.87 g/mol. Its IUPAC name is 5-(1-benzyl-2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-(2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-ethoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-methoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-[(4-oxocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]-3H-isoindol-1-one;4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name5-(1-benzyl-2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-(2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-ethoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-methoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-[(4-oxocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]-3H-isoindol-1-one;4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]cyclohexane-1-carbonitrile
PubChem CID165105980
Molecular FormulaC181H215N25O18
Molecular Weight3028.87 g/mol
Exact Mass3026.67
IUPAC Name5-(1-benzyl-2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-(2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-ethoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-methoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-[(4-oxocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]-3H-isoindol-1-one;4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]cyclohexane-1-carbonitrile
SMILESC=C1CCC(N2Cc3cc(C4CC(C)N(Cc5ccccc5)C(C)C4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(C4CC(C)NC(C)C4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(C4CCN(CC5=CCC(=O)C=C5)CC4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(C4CCN(CC5CCC(C#N)CC5)CC4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(C4CCN(Cc5ccc(OC)cn5)CC4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(C4CCN(Cc5ccc(OC)nc5)CC4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(C4CCN(Cc5ccc(OCC)cn5)CC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C28H33N3O2.C27H32N4O3.C27H34N4O2.2C26H30N4O3.C26H29N3O3.C21H27N3O2/c1-18-9-12-26(27(32)29-18)31-17-24-15-22(10-11-25(24)28(31)33)23-13-19(2)30(20(3)14-23)16-21-7-5-4-6-8-21;1-3-34-23-7-6-22(28-15-23)17-30-12-10-19(11-13-30)20-5-8-24-21(14-20)16-31(27(24)33)25-9-4-18(2)29-26(25)32;1-18-2-9-25(26(32)29-18)31-17-23-14-22(7-8-24(23)27(31)33)21-10-12-30(13-11-21)16-20-5-3-19(15-28)4-6-20;1-17-3-8-24(25(31)28-17)30-15-20-13-19(4-7-23(20)26(30)32)18-9-11-29(12-10-18)16-21-5-6-22(33-2)14-27-21;1-17-3-7-23(25(31)28-17)30-16-21-13-20(5-6-22(21)26(30)32)19-9-11-29(12-10-19)15-18-4-8-24(33-2)27-14-18;1-17-2-9-24(25(31)27-17)29-16-21-14-20(5-8-23(21)26(29)32)19-10-12-28(13-11-19)15-18-3-6-22(30)7-4-18;1-12-4-7-19(20(25)23-12)24-11-17-10-15(5-6-18(17)21(24)26)16-8-13(2)22-14(3)9-16/h4-8,10-11,15,19-20,23,26H,1,9,12-14,16-17H2,2-3H3,(H,29,32);5-8,14-15,19,25H,2-4,9-13,16-17H2,1H3,(H,29,32);7-8,14,19-21,25H,1-6,9-13,16-17H2,(H,29,32);4-7,13-14,18,24H,1,3,8-12,15-16H2,2H3,(H,28,31);4-6,8,13-14,19,23H,1,3,7,9-12,15-16H2,2H3,(H,28,31);3-6,8,14,19,24H,1-2,7,9-13,15-16H2,(H,27,31);5-6,10,13-14,16,19,22H,1,4,7-9,11H2,2-3H3,(H,23,25)
InChIKeyZDCINSSBCPQPGY-UHFFFAOYSA-N
XLogP24.33
TPSA484.56 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds30
Heavy Atoms224
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003028.87
LogP ≤ 524.33
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

Analyze 5-(1-benzyl-2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-(2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-ethoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-methoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-[(4-oxocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]-3H-isoindol-1-one;4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]cyclohexane-1-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;5-[4-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-3-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxy-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione
CID 158023611
(7S)-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1-methylpiperidin-4-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-propan-2-yl-N-(2-pyridin-2-ylethyl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 158611555
4-[[4-[(4-butyl-3-oxopiperazin-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;4-[[4-[(4-ethyl-3-oxopiperazin-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(4-pyridin-3-ylpiperidin-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-4-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]-3H-isoindol-1-one
CID 159114633
(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxy-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[[3-oxo-5-(2,2,2-trifluoroethoxy)-1H-isoindol-2-yl]methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione
CID 161574902
N-[(2R,3S)-3-[4-[[(2S)-2-[[2-(3-cyanophenyl)-2,2-difluoroacetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;1-(cyclopropylmethyl)-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]pyrrole-2-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(5-methoxy-3-pyridinyl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;1-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]pyrrole-2-carboxamide
CID 167711645
2-[4-[2,3,4,5,6-Pentakis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 23391316
2-[4-[2-[4-[1-[(3-Methyl-2-pyridinyl)oxy]ethenyl]phenyl]-3,4,5,6-tetrakis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 89223280
2-[4-[2-[4-(1,2-Dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4,5-bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 90720247
tert-butyl piperazine-1-carboxylate;5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]pentanal;3-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]propanal;3-[6-[5-[4-[3-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-(5-piperidin-1-ylpentoxy)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 157273958
2-[2,6-Di(propan-2-yl)phenyl]-4-methyl-5-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-b]pyridin-4-ium;methane;4-methyl-2-(4-methylphenyl)-5-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-b]pyridin-4-ium;4-methyl-2-phenyl-5-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-b]pyridin-4-ium;5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium
CID 157639076
7-[2-[3-(2-oxobut-3-enyl)phenyl]acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;N-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclohexyl]prop-2-enamide;N-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]phenyl]prop-2-enamide;7-[2-(1-prop-2-enoyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-yl)acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;7-[2-[(1S)-3-prop-2-enoylcyclohexyl]acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;7-[2-(4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 157795409
2-[2,6-Di(propan-2-yl)phenyl]-4-methyl-5-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-b]pyridin-4-ium;methane;4-methyl-2-(4-methylphenyl)-5-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-b]pyridin-4-ium;4-methyl-2-phenyl-5-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-b]pyridin-4-ium;5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium
CID 157916899

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyl-2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-(2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-ethoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-methoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-[(4-oxocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]-3H-isoindol-1-one;4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]cyclohexane-1-carbonitrile?
The IUPAC name of 5-(1-benzyl-2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-(2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-ethoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-methoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-[(4-oxocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]-3H-isoindol-1-one;4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]cyclohexane-1-carbonitrile (CID 165105980) is 5-(1-benzyl-2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-(2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-ethoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-methoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-[(4-oxocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]-3H-isoindol-1-one;4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 5-(1-benzyl-2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-(2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-ethoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-methoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-[(4-oxocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]-3H-isoindol-1-one;4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 5-(1-benzyl-2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-(2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-ethoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-methoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-[(4-oxocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]-3H-isoindol-1-one;4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]cyclohexane-1-carbonitrile is C=C1CCC(N2Cc3cc(C4CC(C)N(Cc5ccccc5)C(C)C4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(C4CC(C)NC(C)C4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(C4CCN(CC5=CCC(=O)C=C5)CC4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(C4CCN(CC5CCC(C#N)CC5)CC4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(C4CCN(Cc5ccc(OC)cn5)CC4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(C4CCN(Cc5ccc(OC)nc5)CC4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(C4CCN(Cc5ccc(OCC)cn5)CC4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 5-(1-benzyl-2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-(2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-ethoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-methoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-[(4-oxocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]-3H-isoindol-1-one;4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]cyclohexane-1-carbonitrile?
The InChIKey is ZDCINSSBCPQPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2.C27H32N4O3.C27H34N4O2.2C26H30N4O3.C26H29N3O3.C21H27N3O2/c1-18-9-12-26(27(32)29-18)31-17-24-15-22(10-11-25(24)28(31)33)23-13-19(2)30(20(3)14-23)16-21-7-5-4-6-8-21;1-3-34-23-7-6-22(28-15-23)17-30-12-10-19(11-13-30)20-5-8-24-21(14-20)16-31(27(24)33)25-9-4-18(2)29-26(25)32;1-18-2-9-25(26(32)29-18)31-17-23-14-22(7-8-24(23)27(31)33)21-10-12-30(13-11-21)16-20-5-3-19(15-28)4-6-20;1-17-3-8-24(25(31)28-17)30-15-20-13-19(4-7-23(20)26(30)32)18-9-11-29(12-10-18)16-21-5-6-22(33-2)14-27-21;1-17-3-7-23(25(31)28-17)30-16-21-13-20(5-6-22(21)26(30)32)19-9-11-29(12-10-19)15-18-4-8-24(33-2)27-14-18;1-17-2-9-24(25(31)27-17)29-16-21-14-20(5-8-23(21)26(29)32)19-10-12-28(13-11-19)15-18-3-6-22(30)7-4-18;1-12-4-7-19(20(25)23-12)24-11-17-10-15(5-6-18(17)21(24)26)16-8-13(2)22-14(3)9-16/h4-8,10-11,15,19-20,23,26H,1,9,12-14,16-17H2,2-3H3,(H,29,32);5-8,14-15,19,25H,2-4,9-13,16-17H2,1H3,(H,29,32);7-8,14,19-21,25H,1-6,9-13,16-17H2,(H,29,32);4-7,13-14,18,24H,1,3,8-12,15-16H2,2H3,(H,28,31);4-6,8,13-14,19,23H,1,3,7,9-12,15-16H2,2H3,(H,28,31);3-6,8,14,19,24H,1-2,7,9-13,15-16H2,(H,27,31);5-6,10,13-14,16,19,22H,1,4,7-9,11H2,2-3H3,(H,23,25).
What are the key properties of 5-(1-benzyl-2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-(2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-ethoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-methoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-[(4-oxocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]-3H-isoindol-1-one;4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]cyclohexane-1-carbonitrile?
5-(1-benzyl-2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-(2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-ethoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-methoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-[(4-oxocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]-3H-isoindol-1-one;4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]cyclohexane-1-carbonitrile has a molecular weight of 3028.87 g/mol, XLogP of 24.33, 30 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyl-2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-(2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-ethoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-methoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-[(4-oxocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]-3H-isoindol-1-one;4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 165105980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).