About 2,4-dimethyl-1,3,3a,9b-tetrahydropyrrolo[3,4-c]isoquinolin-5-one;(4-hydroxy-1-methylpyrrolidin-3-yl) acetate;3-(3H-inden-1-yl)-1-methylpyrrolidine;(3R,4S,5R)-5-[(4-methoxyphenyl)methyl]-1-methyl-4-prop-1-en-2-yloxypyrrolidin-3-ol;1-methyl-4-(5-methyl-1H-imidazol-4-yl)piperidine;methyl N-[(R)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]carbamate;1-(4-methylpiperazin-1-yl)ethanone;2-(1-methylpiperidin-4-yl)-3H-isoindol-1-one;3-[(1-methylpyrrolidin-3-yl)amino]-4-phenylcyclobut-3-ene-1,2-dione;2-[(2S)-1-methylpyrrolidin-2-yl]-1H-benzimidazole;3-(1-methylpyrrolidin-2-yl)-1H-indole;1'-methylspiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one;(4S)-1,3,3-trimethyl-4-(4-methylphenyl)piperidin-4-ol;N,N,1-trimethylpiperidin-4-amine
2,4-dimethyl-1,3,3a,9b-tetrahydropyrrolo[3,4-c]isoquinolin-5-one;(4-hydroxy-1-methylpyrrolidin-3-yl) acetate;3-(3H-inden-1-yl)-1-methylpyrrolidine;(3R,4S,5R)-5-[(4-methoxyphenyl)methyl]-1-methyl-4-prop-1-en-2-yloxypyrrolidin-3-ol;1-methyl-4-(5-methyl-1H-imidazol-4-yl)piperidine;methyl N-[(R)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]carbamate;1-(4-methylpiperazin-1-yl)ethanone;2-(1-methylpiperidin-4-yl)-3H-isoindol-1-one;3-[(1-methylpyrrolidin-3-yl)amino]-4-phenylcyclobut-3-ene-1,2-dione;2-[(2S)-1-methylpyrrolidin-2-yl]-1H-benzimidazole;3-(1-methylpyrrolidin-2-yl)-1H-indole;1'-methylspiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one;(4S)-1,3,3-trimethyl-4-(4-methylphenyl)piperidin-4-ol;N,N,1-trimethylpiperidin-4-amine (PubChem CID 158292133) has the molecular formula C173H246N26O15
and a molecular weight of 2930.04 g/mol. Its IUPAC name is 2,4-dimethyl-1,3,3a,9b-tetrahydropyrrolo[3,4-c]isoquinolin-5-one;(4-hydroxy-1-methylpyrrolidin-3-yl) acetate;3-(3H-inden-1-yl)-1-methylpyrrolidine;(3R,4S,5R)-5-[(4-methoxyphenyl)methyl]-1-methyl-4-prop-1-en-2-yloxypyrrolidin-3-ol;1-methyl-4-(5-methyl-1H-imidazol-4-yl)piperidine;methyl N-[(R)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]carbamate;1-(4-methylpiperazin-1-yl)ethanone;2-(1-methylpiperidin-4-yl)-3H-isoindol-1-one;3-[(1-methylpyrrolidin-3-yl)amino]-4-phenylcyclobut-3-ene-1,2-dione;2-[(2S)-1-methylpyrrolidin-2-yl]-1H-benzimidazole;3-(1-methylpyrrolidin-2-yl)-1H-indole;1'-methylspiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one;(4S)-1,3,3-trimethyl-4-(4-methylphenyl)piperidin-4-ol;N,N,1-trimethylpiperidin-4-amine.
Frequently Asked Questions
What is the IUPAC name of 2,4-dimethyl-1,3,3a,9b-tetrahydropyrrolo[3,4-c]isoquinolin-5-one;(4-hydroxy-1-methylpyrrolidin-3-yl) acetate;3-(3H-inden-1-yl)-1-methylpyrrolidine;(3R,4S,5R)-5-[(4-methoxyphenyl)methyl]-1-methyl-4-prop-1-en-2-yloxypyrrolidin-3-ol;1-methyl-4-(5-methyl-1H-imidazol-4-yl)piperidine;methyl N-[(R)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]carbamate;1-(4-methylpiperazin-1-yl)ethanone;2-(1-methylpiperidin-4-yl)-3H-isoindol-1-one;3-[(1-methylpyrrolidin-3-yl)amino]-4-phenylcyclobut-3-ene-1,2-dione;2-[(2S)-1-methylpyrrolidin-2-yl]-1H-benzimidazole;3-(1-methylpyrrolidin-2-yl)-1H-indole;1'-methylspiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one;(4S)-1,3,3-trimethyl-4-(4-methylphenyl)piperidin-4-ol;N,N,1-trimethylpiperidin-4-amine?
The IUPAC name of 2,4-dimethyl-1,3,3a,9b-tetrahydropyrrolo[3,4-c]isoquinolin-5-one;(4-hydroxy-1-methylpyrrolidin-3-yl) acetate;3-(3H-inden-1-yl)-1-methylpyrrolidine;(3R,4S,5R)-5-[(4-methoxyphenyl)methyl]-1-methyl-4-prop-1-en-2-yloxypyrrolidin-3-ol;1-methyl-4-(5-methyl-1H-imidazol-4-yl)piperidine;methyl N-[(R)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]carbamate;1-(4-methylpiperazin-1-yl)ethanone;2-(1-methylpiperidin-4-yl)-3H-isoindol-1-one;3-[(1-methylpyrrolidin-3-yl)amino]-4-phenylcyclobut-3-ene-1,2-dione;2-[(2S)-1-methylpyrrolidin-2-yl]-1H-benzimidazole;3-(1-methylpyrrolidin-2-yl)-1H-indole;1'-methylspiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one;(4S)-1,3,3-trimethyl-4-(4-methylphenyl)piperidin-4-ol;N,N,1-trimethylpiperidin-4-amine (CID 158292133) is 2,4-dimethyl-1,3,3a,9b-tetrahydropyrrolo[3,4-c]isoquinolin-5-one;(4-hydroxy-1-methylpyrrolidin-3-yl) acetate;3-(3H-inden-1-yl)-1-methylpyrrolidine;(3R,4S,5R)-5-[(4-methoxyphenyl)methyl]-1-methyl-4-prop-1-en-2-yloxypyrrolidin-3-ol;1-methyl-4-(5-methyl-1H-imidazol-4-yl)piperidine;methyl N-[(R)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]carbamate;1-(4-methylpiperazin-1-yl)ethanone;2-(1-methylpiperidin-4-yl)-3H-isoindol-1-one;3-[(1-methylpyrrolidin-3-yl)amino]-4-phenylcyclobut-3-ene-1,2-dione;2-[(2S)-1-methylpyrrolidin-2-yl]-1H-benzimidazole;3-(1-methylpyrrolidin-2-yl)-1H-indole;1'-methylspiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one;(4S)-1,3,3-trimethyl-4-(4-methylphenyl)piperidin-4-ol;N,N,1-trimethylpiperidin-4-amine.
What is the SMILES notation for 2,4-dimethyl-1,3,3a,9b-tetrahydropyrrolo[3,4-c]isoquinolin-5-one;(4-hydroxy-1-methylpyrrolidin-3-yl) acetate;3-(3H-inden-1-yl)-1-methylpyrrolidine;(3R,4S,5R)-5-[(4-methoxyphenyl)methyl]-1-methyl-4-prop-1-en-2-yloxypyrrolidin-3-ol;1-methyl-4-(5-methyl-1H-imidazol-4-yl)piperidine;methyl N-[(R)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]carbamate;1-(4-methylpiperazin-1-yl)ethanone;2-(1-methylpiperidin-4-yl)-3H-isoindol-1-one;3-[(1-methylpyrrolidin-3-yl)amino]-4-phenylcyclobut-3-ene-1,2-dione;2-[(2S)-1-methylpyrrolidin-2-yl]-1H-benzimidazole;3-(1-methylpyrrolidin-2-yl)-1H-indole;1'-methylspiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one;(4S)-1,3,3-trimethyl-4-(4-methylphenyl)piperidin-4-ol;N,N,1-trimethylpiperidin-4-amine?
The canonical SMILES for 2,4-dimethyl-1,3,3a,9b-tetrahydropyrrolo[3,4-c]isoquinolin-5-one;(4-hydroxy-1-methylpyrrolidin-3-yl) acetate;3-(3H-inden-1-yl)-1-methylpyrrolidine;(3R,4S,5R)-5-[(4-methoxyphenyl)methyl]-1-methyl-4-prop-1-en-2-yloxypyrrolidin-3-ol;1-methyl-4-(5-methyl-1H-imidazol-4-yl)piperidine;methyl N-[(R)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]carbamate;1-(4-methylpiperazin-1-yl)ethanone;2-(1-methylpiperidin-4-yl)-3H-isoindol-1-one;3-[(1-methylpyrrolidin-3-yl)amino]-4-phenylcyclobut-3-ene-1,2-dione;2-[(2S)-1-methylpyrrolidin-2-yl]-1H-benzimidazole;3-(1-methylpyrrolidin-2-yl)-1H-indole;1'-methylspiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one;(4S)-1,3,3-trimethyl-4-(4-methylphenyl)piperidin-4-ol;N,N,1-trimethylpiperidin-4-amine is C=C(C)O[C@@H]1[C@H](O)CN(C)[C@@H]1Cc1ccc(OC)cc1.CC(=O)N1CCN(C)CC1.CC(=O)OC1CN(C)CC1O.CN1CC2c3ccccc3C(=O)N(C)C2C1.CN1CCC(C2=CCc3ccccc32)C1.CN1CCC(N(C)C)CC1.CN1CCC(N2Cc3ccccc3C2=O)CC1.CN1CCC(Nc2c(-c3ccccc3)c(=O)c2=O)C1.CN1CCC2(CC1)NC(=O)Cc1ccccc12.CN1CCCC1c1c[nH]c2ccccc12.CN1CCC[C@H]1c1nc2ccccc2[nH]1.COC(=O)N[C@H](c1ccccc1)[C@@H]1CCCCN1C.Cc1[nH]cnc1C1CCN(C)CC1.Cc1ccc([C@@]2(O)CCN(C)CC2(C)C)cc1.
What is the InChIKey of 2,4-dimethyl-1,3,3a,9b-tetrahydropyrrolo[3,4-c]isoquinolin-5-one;(4-hydroxy-1-methylpyrrolidin-3-yl) acetate;3-(3H-inden-1-yl)-1-methylpyrrolidine;(3R,4S,5R)-5-[(4-methoxyphenyl)methyl]-1-methyl-4-prop-1-en-2-yloxypyrrolidin-3-ol;1-methyl-4-(5-methyl-1H-imidazol-4-yl)piperidine;methyl N-[(R)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]carbamate;1-(4-methylpiperazin-1-yl)ethanone;2-(1-methylpiperidin-4-yl)-3H-isoindol-1-one;3-[(1-methylpyrrolidin-3-yl)amino]-4-phenylcyclobut-3-ene-1,2-dione;2-[(2S)-1-methylpyrrolidin-2-yl]-1H-benzimidazole;3-(1-methylpyrrolidin-2-yl)-1H-indole;1'-methylspiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one;(4S)-1,3,3-trimethyl-4-(4-methylphenyl)piperidin-4-ol;N,N,1-trimethylpiperidin-4-amine?
The InChIKey is GLMDOMZDXSCMSK-OFOWEZQCSA-N. The full InChI is InChI=1S/C16H23NO3.C15H16N2O2.C15H22N2O2.C15H23NO.2C14H18N2O.C14H17N.C13H16N2O.C13H16N2.C12H15N3.C10H17N3.C8H18N2.C7H14N2O.C7H13NO3/c1-11(2)20-16-14(17(3)10-15(16)18)9-12-5-7-13(19-4)8-6-12;1-17-8-7-11(9-17)16-13-12(14(18)15(13)19)10-5-3-2-4-6-10;1-17-11-7-6-10-13(17)14(16-15(18)19-2)12-8-4-3-5-9-12;1-12-5-7-13(8-6-12)15(17)9-10-16(4)11-14(15,2)3;1-15-8-6-12(7-9-15)16-10-11-4-2-3-5-13(11)14(16)17;1-16-8-6-14(7-9-16)12-5-3-2-4-11(12)10-13(17)15-14;1-15-9-8-12(10-15)14-7-6-11-4-2-3-5-13(11)14;1-14-7-11-9-5-3-4-6-10(9)13(16)15(2)12(11)8-14;1-15-8-4-7-13(15)11-9-14-12-6-3-2-5-10(11)12;1-15-8-4-7-11(15)12-13-9-5-2-3-6-10(9)14-12;1-8-10(12-7-11-8)9-3-5-13(2)6-4-9;1-9(2)8-4-6-10(3)7-5-8;1-7(10)9-5-3-8(2)4-6-9;1-5(9)11-7-4-8(2)3-6(7)10/h5-8,14-16,18H,1,9-10H2,2-4H3;2-6,11,16H,7-9H2,1H3;3-5,8-9,13-14H,6-7,10-11H2,1-2H3,(H,16,18);5-8,17H,9-11H2,1-4H3;2-5,12H,6-10H2,1H3;2-5H,6-10H2,1H3,(H,15,17);2-5,7,12H,6,8-10H2,1H3;3-6,11-12H,7-8H2,1-2H3;2-3,5-6,9,13-14H,4,7-8H2,1H3;2-3,5-6,11H,4,7-8H2,1H3,(H,13,14);7,9H,3-6H2,1-2H3,(H,11,12);8H,4-7H2,1-3H3;3-6H2,1-2H3;6-7,10H,3-4H2,1-2H3/t14-,15-,16+;;13-,14+;15-;;;;;;11-;;;;/m1.00.....0..../s1.
What are the key properties of 2,4-dimethyl-1,3,3a,9b-tetrahydropyrrolo[3,4-c]isoquinolin-5-one;(4-hydroxy-1-methylpyrrolidin-3-yl) acetate;3-(3H-inden-1-yl)-1-methylpyrrolidine;(3R,4S,5R)-5-[(4-methoxyphenyl)methyl]-1-methyl-4-prop-1-en-2-yloxypyrrolidin-3-ol;1-methyl-4-(5-methyl-1H-imidazol-4-yl)piperidine;methyl N-[(R)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]carbamate;1-(4-methylpiperazin-1-yl)ethanone;2-(1-methylpiperidin-4-yl)-3H-isoindol-1-one;3-[(1-methylpyrrolidin-3-yl)amino]-4-phenylcyclobut-3-ene-1,2-dione;2-[(2S)-1-methylpyrrolidin-2-yl]-1H-benzimidazole;3-(1-methylpyrrolidin-2-yl)-1H-indole;1'-methylspiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one;(4S)-1,3,3-trimethyl-4-(4-methylphenyl)piperidin-4-ol;N,N,1-trimethylpiperidin-4-amine?
2,4-dimethyl-1,3,3a,9b-tetrahydropyrrolo[3,4-c]isoquinolin-5-one;(4-hydroxy-1-methylpyrrolidin-3-yl) acetate;3-(3H-inden-1-yl)-1-methylpyrrolidine;(3R,4S,5R)-5-[(4-methoxyphenyl)methyl]-1-methyl-4-prop-1-en-2-yloxypyrrolidin-3-ol;1-methyl-4-(5-methyl-1H-imidazol-4-yl)piperidine;methyl N-[(R)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]carbamate;1-(4-methylpiperazin-1-yl)ethanone;2-(1-methylpiperidin-4-yl)-3H-isoindol-1-one;3-[(1-methylpyrrolidin-3-yl)amino]-4-phenylcyclobut-3-ene-1,2-dione;2-[(2S)-1-methylpyrrolidin-2-yl]-1H-benzimidazole;3-(1-methylpyrrolidin-2-yl)-1H-indole;1'-methylspiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one;(4S)-1,3,3-trimethyl-4-(4-methylphenyl)piperidin-4-ol;N,N,1-trimethylpiperidin-4-amine has a molecular weight of 2930.04 g/mol, XLogP of 21.21, 19 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,3,3a,9b-tetrahydropyrrolo[3,4-c]isoquinolin-5-one;(4-hydroxy-1-methylpyrrolidin-3-yl) acetate;3-(3H-inden-1-yl)-1-methylpyrrolidine;(3R,4S,5R)-5-[(4-methoxyphenyl)methyl]-1-methyl-4-prop-1-en-2-yloxypyrrolidin-3-ol;1-methyl-4-(5-methyl-1H-imidazol-4-yl)piperidine;methyl N-[(R)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]carbamate;1-(4-methylpiperazin-1-yl)ethanone;2-(1-methylpiperidin-4-yl)-3H-isoindol-1-one;3-[(1-methylpyrrolidin-3-yl)amino]-4-phenylcyclobut-3-ene-1,2-dione;2-[(2S)-1-methylpyrrolidin-2-yl]-1H-benzimidazole;3-(1-methylpyrrolidin-2-yl)-1H-indole;1'-methylspiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one;(4S)-1,3,3-trimethyl-4-(4-methylphenyl)piperidin-4-ol;N,N,1-trimethylpiperidin-4-amine is sourced from PubChem (CID 158292133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).