4-amino-1-methylpiperidine-4-carboxylic acid;6-chloro-3-(1-methylpiperidin-4-yl)-1,3-dihydroindol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;8-methyl-2,8-diazaspiro[4.5]decan-1-one;1-methyl-1,4-diazepane;4-methyl-1,4-diazepane-1-carboximidamide;N-methyl-1-(5-methylpyrazin-2-yl)methanamine;8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;2-(4-methylpiperazin-1-yl)acetic acid;3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;3-(1-methylpiperidin-4-yl)-5-phenyl-1H-imidazol-2-one;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C179H286ClN47O17 — CID 158616772

IUPAC4-amino-1-methylpiperidine-4-carboxylic acid;6-chloro-3-(1-methylpiperidin-4-yl)-1,3-dihydroindol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;8-methyl-2,8-diazaspiro[4.5]decan-1-one;1-methyl-1,4-diazepane;4-methyl-1,4-diazepane-1-carboximidamide;N-methyl-1-(5-methylpyrazin-2-yl)methanamine;8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;2-(4-methylpiperazin-1-yl)acetic acid;3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;3-(1-methylpiperidin-4-yl)-5-phenyl-1H-imidazol-2-one;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1CCC(C(=O)N2CCOCC2)CC1.CN1CCC(C2C(=O)Nc3cc(Cl)ccc32)CC1.CN1CCC(N)(C(=O)O)CC1.CN1CCC(N2C(=O)Cc3ccccc32)CC1.CN1CCC(N2CCC[C@H]2C(=O)O)CC1.CN1CCC(n2c(=O)[nH]c3ccccc32)CC1.CN1CCC(n2cc(-c3ccccc3)[nH]c2=O)CC1.CN1CCC2(CC1)C(=O)NCN2c1ccccc1.CN1CCC2(CC1)CCN(C)C2=O.CN1CCC2(CC1)NC(=O)NC2=O.CN1CCC2(CCNC2=O)CC1.CN1CCCNCC1.CN1CCN(CC(=O)O)CC1.CN1CCc2[nH]ncc2C1.CNCc1cn2ccccc2n1.CNCc1cnc(C)cn1.Cc1nnc(C)n1C1CCN(C)CC1.[H]/N=C(\N)N1CCCN(C)CC1
InChIInChI=1S/C15H19N3O.C14H17ClN2O.C14H19N3O.C14H18N2O.C13H17N3O.2C11H20N2O2.C10H18N4.C10H18N2O.C9H11N3.C9H16N2O.C8H13N3O2.C7H16N4.2C7H11N3.2C7H14N2O2.C6H14N2/c1-17-9-7-13(8-10-17)18-11-14(16-15(18)19)12-5-3-2-4-6-12;1-17-6-4-9(5-7-17)13-11-3-2-10(15)8-12(11)16-14(13)18;1-16-9-7-14(8-10-16)13(18)15-11-17(14)12-5-3-2-4-6-12;1-15-8-6-12(7-9-15)16-13-5-3-2-4-11(13)10-14(16)17;1-15-8-6-10(7-9-15)16-12-5-3-2-4-11(12)14-13(16)17;1-12-4-2-10(3-5-12)11(14)13-6-8-15-9-7-13;1-12-7-4-9(5-8-12)13-6-2-3-10(13)11(14)15;1-8-11-12-9(2)14(8)10-4-6-13(3)7-5-10;1-11-6-3-10(4-7-11)5-8-12(2)9(10)13;1-10-6-8-7-12-5-3-2-4-9(12)11-8;1-11-6-3-9(4-7-11)2-5-10-8(9)12;1-11-4-2-8(3-5-11)6(12)9-7(13)10-8;1-10-3-2-4-11(6-5-10)7(8)9;1-10-3-2-7-6(5-10)4-8-9-7;1-6-3-10-7(4-8-2)5-9-6;1-8-2-4-9(5-3-8)6-7(10)11;1-9-4-2-7(8,3-5-9)6(10)11;1-8-5-2-3-7-4-6-8/h2-6,11,13H,7-10H2,1H3,(H,16,19);2-3,8-9,13H,4-7H2,1H3,(H,16,18);2-6H,7-11H2,1H3,(H,15,18);2-5,12H,6-10H2,1H3;2-5,10H,6-9H2,1H3,(H,14,17);10H,2-9H2,1H3;9-10H,2-8H2,1H3,(H,14,15);10H,4-7H2,1-3H3;3-8H2,1-2H3;2-5,7,10H,6H2,1H3;2-7H2,1H3,(H,10,12);2-5H2,1H3,(H2,9,10,12,13);2-6H2,1H3,(H3,8,9);4H,2-3,5H2,1H3,(H,8,9);3,5,8H,4H2,1-2H3;2-6H2,1H3,(H,10,11);2-5,8H2,1H3,(H,10,11);7H,2-6H2,1H3/t;;;;;;10-;;;;;;;;;;;/m......0.........../s1
InChIKeyHXMKCCRPFVSQAE-WMRTYSLFSA-N
MW3404.02 g/mol
LogP11.38
Rot. Bonds17

About 4-amino-1-methylpiperidine-4-carboxylic acid;6-chloro-3-(1-methylpiperidin-4-yl)-1,3-dihydroindol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;8-methyl-2,8-diazaspiro[4.5]decan-1-one;1-methyl-1,4-diazepane;4-methyl-1,4-diazepane-1-carboximidamide;N-methyl-1-(5-methylpyrazin-2-yl)methanamine;8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;2-(4-methylpiperazin-1-yl)acetic acid;3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;3-(1-methylpiperidin-4-yl)-5-phenyl-1H-imidazol-2-one;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

4-amino-1-methylpiperidine-4-carboxylic acid;6-chloro-3-(1-methylpiperidin-4-yl)-1,3-dihydroindol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;8-methyl-2,8-diazaspiro[4.5]decan-1-one;1-methyl-1,4-diazepane;4-methyl-1,4-diazepane-1-carboximidamide;N-methyl-1-(5-methylpyrazin-2-yl)methanamine;8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;2-(4-methylpiperazin-1-yl)acetic acid;3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;3-(1-methylpiperidin-4-yl)-5-phenyl-1H-imidazol-2-one;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 158616772) has the molecular formula C179H286ClN47O17 and a molecular weight of 3404.02 g/mol. Its IUPAC name is 4-amino-1-methylpiperidine-4-carboxylic acid;6-chloro-3-(1-methylpiperidin-4-yl)-1,3-dihydroindol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;8-methyl-2,8-diazaspiro[4.5]decan-1-one;1-methyl-1,4-diazepane;4-methyl-1,4-diazepane-1-carboximidamide;N-methyl-1-(5-methylpyrazin-2-yl)methanamine;8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;2-(4-methylpiperazin-1-yl)acetic acid;3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;3-(1-methylpiperidin-4-yl)-5-phenyl-1H-imidazol-2-one;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name4-amino-1-methylpiperidine-4-carboxylic acid;6-chloro-3-(1-methylpiperidin-4-yl)-1,3-dihydroindol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;8-methyl-2,8-diazaspiro[4.5]decan-1-one;1-methyl-1,4-diazepane;4-methyl-1,4-diazepane-1-carboximidamide;N-methyl-1-(5-methylpyrazin-2-yl)methanamine;8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;2-(4-methylpiperazin-1-yl)acetic acid;3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;3-(1-methylpiperidin-4-yl)-5-phenyl-1H-imidazol-2-one;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID158616772
Molecular FormulaC179H286ClN47O17
Molecular Weight3404.02 g/mol
Exact Mass3401.26
IUPAC Name4-amino-1-methylpiperidine-4-carboxylic acid;6-chloro-3-(1-methylpiperidin-4-yl)-1,3-dihydroindol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;8-methyl-2,8-diazaspiro[4.5]decan-1-one;1-methyl-1,4-diazepane;4-methyl-1,4-diazepane-1-carboximidamide;N-methyl-1-(5-methylpyrazin-2-yl)methanamine;8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;2-(4-methylpiperazin-1-yl)acetic acid;3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;3-(1-methylpiperidin-4-yl)-5-phenyl-1H-imidazol-2-one;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1CCC(C(=O)N2CCOCC2)CC1.CN1CCC(C2C(=O)Nc3cc(Cl)ccc32)CC1.CN1CCC(N)(C(=O)O)CC1.CN1CCC(N2C(=O)Cc3ccccc32)CC1.CN1CCC(N2CCC[C@H]2C(=O)O)CC1.CN1CCC(n2c(=O)[nH]c3ccccc32)CC1.CN1CCC(n2cc(-c3ccccc3)[nH]c2=O)CC1.CN1CCC2(CC1)C(=O)NCN2c1ccccc1.CN1CCC2(CC1)CCN(C)C2=O.CN1CCC2(CC1)NC(=O)NC2=O.CN1CCC2(CCNC2=O)CC1.CN1CCCNCC1.CN1CCN(CC(=O)O)CC1.CN1CCc2[nH]ncc2C1.CNCc1cn2ccccc2n1.CNCc1cnc(C)cn1.Cc1nnc(C)n1C1CCN(C)CC1.[H]/N=C(\N)N1CCCN(C)CC1
InChIInChI=1S/C15H19N3O.C14H17ClN2O.C14H19N3O.C14H18N2O.C13H17N3O.2C11H20N2O2.C10H18N4.C10H18N2O.C9H11N3.C9H16N2O.C8H13N3O2.C7H16N4.2C7H11N3.2C7H14N2O2.C6H14N2/c1-17-9-7-13(8-10-17)18-11-14(16-15(18)19)12-5-3-2-4-6-12;1-17-6-4-9(5-7-17)13-11-3-2-10(15)8-12(11)16-14(13)18;1-16-9-7-14(8-10-16)13(18)15-11-17(14)12-5-3-2-4-6-12;1-15-8-6-12(7-9-15)16-13-5-3-2-4-11(13)10-14(16)17;1-15-8-6-10(7-9-15)16-12-5-3-2-4-11(12)14-13(16)17;1-12-4-2-10(3-5-12)11(14)13-6-8-15-9-7-13;1-12-7-4-9(5-8-12)13-6-2-3-10(13)11(14)15;1-8-11-12-9(2)14(8)10-4-6-13(3)7-5-10;1-11-6-3-10(4-7-11)5-8-12(2)9(10)13;1-10-6-8-7-12-5-3-2-4-9(12)11-8;1-11-6-3-9(4-7-11)2-5-10-8(9)12;1-11-4-2-8(3-5-11)6(12)9-7(13)10-8;1-10-3-2-4-11(6-5-10)7(8)9;1-10-3-2-7-6(5-10)4-8-9-7;1-6-3-10-7(4-8-2)5-9-6;1-8-2-4-9(5-3-8)6-7(10)11;1-9-4-2-7(8,3-5-9)6(10)11;1-8-5-2-3-7-4-6-8/h2-6,11,13H,7-10H2,1H3,(H,16,19);2-3,8-9,13H,4-7H2,1H3,(H,16,18);2-6H,7-11H2,1H3,(H,15,18);2-5,12H,6-10H2,1H3;2-5,10H,6-9H2,1H3,(H,14,17);10H,2-9H2,1H3;9-10H,2-8H2,1H3,(H,14,15);10H,4-7H2,1-3H3;3-8H2,1-2H3;2-5,7,10H,6H2,1H3;2-7H2,1H3,(H,10,12);2-5H2,1H3,(H2,9,10,12,13);2-6H2,1H3,(H3,8,9);4H,2-3,5H2,1H3,(H,8,9);3,5,8H,4H2,1-2H3;2-6H2,1H3,(H,10,11);2-5,8H2,1H3,(H,10,11);7H,2-6H2,1H3/t;;;;;;10-;;;;;;;;;;;/m......0.........../s1
InChIKeyHXMKCCRPFVSQAE-WMRTYSLFSA-N
XLogP11.38
TPSA682.39 Ų
H-Bond Donors17
H-Bond Acceptors48
Rotatable Bonds17
Heavy Atoms244
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003404.02
LogP ≤ 511.38
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-amino-1-methylpiperidine-4-carboxylic acid;6-chloro-3-(1-methylpiperidin-4-yl)-1,3-dihydroindol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;8-methyl-2,8-diazaspiro[4.5]decan-1-one;1-methyl-1,4-diazepane;4-methyl-1,4-diazepane-1-carboximidamide;N-methyl-1-(5-methylpyrazin-2-yl)methanamine;8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;2-(4-methylpiperazin-1-yl)acetic acid;3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;3-(1-methylpiperidin-4-yl)-5-phenyl-1H-imidazol-2-one;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methylpiperidine-4-carboxylic acid;6-chloro-3-(1-methylpiperidin-4-yl)-1,3-dihydroindol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;8-methyl-2,8-diazaspiro[4.5]decan-1-one;1-methyl-1,4-diazepane;4-methyl-1,4-diazepane-1-carboximidamide;N-methyl-1-(5-methylpyrazin-2-yl)methanamine;8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;2-(4-methylpiperazin-1-yl)acetic acid;3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;3-(1-methylpiperidin-4-yl)-5-phenyl-1H-imidazol-2-one;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 4-amino-1-methylpiperidine-4-carboxylic acid;6-chloro-3-(1-methylpiperidin-4-yl)-1,3-dihydroindol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;8-methyl-2,8-diazaspiro[4.5]decan-1-one;1-methyl-1,4-diazepane;4-methyl-1,4-diazepane-1-carboximidamide;N-methyl-1-(5-methylpyrazin-2-yl)methanamine;8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;2-(4-methylpiperazin-1-yl)acetic acid;3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;3-(1-methylpiperidin-4-yl)-5-phenyl-1H-imidazol-2-one;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 158616772) is 4-amino-1-methylpiperidine-4-carboxylic acid;6-chloro-3-(1-methylpiperidin-4-yl)-1,3-dihydroindol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;8-methyl-2,8-diazaspiro[4.5]decan-1-one;1-methyl-1,4-diazepane;4-methyl-1,4-diazepane-1-carboximidamide;N-methyl-1-(5-methylpyrazin-2-yl)methanamine;8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;2-(4-methylpiperazin-1-yl)acetic acid;3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;3-(1-methylpiperidin-4-yl)-5-phenyl-1H-imidazol-2-one;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 4-amino-1-methylpiperidine-4-carboxylic acid;6-chloro-3-(1-methylpiperidin-4-yl)-1,3-dihydroindol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;8-methyl-2,8-diazaspiro[4.5]decan-1-one;1-methyl-1,4-diazepane;4-methyl-1,4-diazepane-1-carboximidamide;N-methyl-1-(5-methylpyrazin-2-yl)methanamine;8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;2-(4-methylpiperazin-1-yl)acetic acid;3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;3-(1-methylpiperidin-4-yl)-5-phenyl-1H-imidazol-2-one;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 4-amino-1-methylpiperidine-4-carboxylic acid;6-chloro-3-(1-methylpiperidin-4-yl)-1,3-dihydroindol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;8-methyl-2,8-diazaspiro[4.5]decan-1-one;1-methyl-1,4-diazepane;4-methyl-1,4-diazepane-1-carboximidamide;N-methyl-1-(5-methylpyrazin-2-yl)methanamine;8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;2-(4-methylpiperazin-1-yl)acetic acid;3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;3-(1-methylpiperidin-4-yl)-5-phenyl-1H-imidazol-2-one;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CN1CCC(C(=O)N2CCOCC2)CC1.CN1CCC(C2C(=O)Nc3cc(Cl)ccc32)CC1.CN1CCC(N)(C(=O)O)CC1.CN1CCC(N2C(=O)Cc3ccccc32)CC1.CN1CCC(N2CCC[C@H]2C(=O)O)CC1.CN1CCC(n2c(=O)[nH]c3ccccc32)CC1.CN1CCC(n2cc(-c3ccccc3)[nH]c2=O)CC1.CN1CCC2(CC1)C(=O)NCN2c1ccccc1.CN1CCC2(CC1)CCN(C)C2=O.CN1CCC2(CC1)NC(=O)NC2=O.CN1CCC2(CCNC2=O)CC1.CN1CCCNCC1.CN1CCN(CC(=O)O)CC1.CN1CCc2[nH]ncc2C1.CNCc1cn2ccccc2n1.CNCc1cnc(C)cn1.Cc1nnc(C)n1C1CCN(C)CC1.[H]/N=C(\N)N1CCCN(C)CC1.
What is the InChIKey of 4-amino-1-methylpiperidine-4-carboxylic acid;6-chloro-3-(1-methylpiperidin-4-yl)-1,3-dihydroindol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;8-methyl-2,8-diazaspiro[4.5]decan-1-one;1-methyl-1,4-diazepane;4-methyl-1,4-diazepane-1-carboximidamide;N-methyl-1-(5-methylpyrazin-2-yl)methanamine;8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;2-(4-methylpiperazin-1-yl)acetic acid;3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;3-(1-methylpiperidin-4-yl)-5-phenyl-1H-imidazol-2-one;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is HXMKCCRPFVSQAE-WMRTYSLFSA-N. The full InChI is InChI=1S/C15H19N3O.C14H17ClN2O.C14H19N3O.C14H18N2O.C13H17N3O.2C11H20N2O2.C10H18N4.C10H18N2O.C9H11N3.C9H16N2O.C8H13N3O2.C7H16N4.2C7H11N3.2C7H14N2O2.C6H14N2/c1-17-9-7-13(8-10-17)18-11-14(16-15(18)19)12-5-3-2-4-6-12;1-17-6-4-9(5-7-17)13-11-3-2-10(15)8-12(11)16-14(13)18;1-16-9-7-14(8-10-16)13(18)15-11-17(14)12-5-3-2-4-6-12;1-15-8-6-12(7-9-15)16-13-5-3-2-4-11(13)10-14(16)17;1-15-8-6-10(7-9-15)16-12-5-3-2-4-11(12)14-13(16)17;1-12-4-2-10(3-5-12)11(14)13-6-8-15-9-7-13;1-12-7-4-9(5-8-12)13-6-2-3-10(13)11(14)15;1-8-11-12-9(2)14(8)10-4-6-13(3)7-5-10;1-11-6-3-10(4-7-11)5-8-12(2)9(10)13;1-10-6-8-7-12-5-3-2-4-9(12)11-8;1-11-6-3-9(4-7-11)2-5-10-8(9)12;1-11-4-2-8(3-5-11)6(12)9-7(13)10-8;1-10-3-2-4-11(6-5-10)7(8)9;1-10-3-2-7-6(5-10)4-8-9-7;1-6-3-10-7(4-8-2)5-9-6;1-8-2-4-9(5-3-8)6-7(10)11;1-9-4-2-7(8,3-5-9)6(10)11;1-8-5-2-3-7-4-6-8/h2-6,11,13H,7-10H2,1H3,(H,16,19);2-3,8-9,13H,4-7H2,1H3,(H,16,18);2-6H,7-11H2,1H3,(H,15,18);2-5,12H,6-10H2,1H3;2-5,10H,6-9H2,1H3,(H,14,17);10H,2-9H2,1H3;9-10H,2-8H2,1H3,(H,14,15);10H,4-7H2,1-3H3;3-8H2,1-2H3;2-5,7,10H,6H2,1H3;2-7H2,1H3,(H,10,12);2-5H2,1H3,(H2,9,10,12,13);2-6H2,1H3,(H3,8,9);4H,2-3,5H2,1H3,(H,8,9);3,5,8H,4H2,1-2H3;2-6H2,1H3,(H,10,11);2-5,8H2,1H3,(H,10,11);7H,2-6H2,1H3/t;;;;;;10-;;;;;;;;;;;/m......0.........../s1.
What are the key properties of 4-amino-1-methylpiperidine-4-carboxylic acid;6-chloro-3-(1-methylpiperidin-4-yl)-1,3-dihydroindol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;8-methyl-2,8-diazaspiro[4.5]decan-1-one;1-methyl-1,4-diazepane;4-methyl-1,4-diazepane-1-carboximidamide;N-methyl-1-(5-methylpyrazin-2-yl)methanamine;8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;2-(4-methylpiperazin-1-yl)acetic acid;3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;3-(1-methylpiperidin-4-yl)-5-phenyl-1H-imidazol-2-one;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
4-amino-1-methylpiperidine-4-carboxylic acid;6-chloro-3-(1-methylpiperidin-4-yl)-1,3-dihydroindol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;8-methyl-2,8-diazaspiro[4.5]decan-1-one;1-methyl-1,4-diazepane;4-methyl-1,4-diazepane-1-carboximidamide;N-methyl-1-(5-methylpyrazin-2-yl)methanamine;8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;2-(4-methylpiperazin-1-yl)acetic acid;3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;3-(1-methylpiperidin-4-yl)-5-phenyl-1H-imidazol-2-one;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 3404.02 g/mol, XLogP of 11.38, 17 rotatable bonds, 17 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methylpiperidine-4-carboxylic acid;6-chloro-3-(1-methylpiperidin-4-yl)-1,3-dihydroindol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;8-methyl-2,8-diazaspiro[4.5]decan-1-one;1-methyl-1,4-diazepane;4-methyl-1,4-diazepane-1-carboximidamide;N-methyl-1-(5-methylpyrazin-2-yl)methanamine;8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;2-(4-methylpiperazin-1-yl)acetic acid;3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;3-(1-methylpiperidin-4-yl)-5-phenyl-1H-imidazol-2-one;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 158616772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).