2-amino-3-(1-methylpiperidin-4-yl)propanoic acid;2-(4-butylpiperazin-1-yl)acetamide;N',4-dimethyl-1,4-diazepane-1-carboximidamide;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;2-[4-(methylamino)piperidin-1-yl]acetamide;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;(2S,4R)-4-(methylamino)pyrrolidine-2-carboxylic acid;N-methyl-1-(5-methylpyrazin-2-yl)methanamine;4-methylpiperazine-2-carboxylic acid;2-(4-methylpiperazin-1-yl)acetic acid;1-methylpiperidine-4-carboxylic acid;2-(1-methylpiperidin-4-yl)acetic acid;3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;4-(1-methylpiperidin-4-yl)butanoic acid;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-1-methylpyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

C138H253N39O22 — CID 157485149

IUPAC2-amino-3-(1-methylpiperidin-4-yl)propanoic acid;2-(4-butylpiperazin-1-yl)acetamide;N',4-dimethyl-1,4-diazepane-1-carboximidamide;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;2-[4-(methylamino)piperidin-1-yl]acetamide;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;(2S,4R)-4-(methylamino)pyrrolidine-2-carboxylic acid;N-methyl-1-(5-methylpyrazin-2-yl)methanamine;4-methylpiperazine-2-carboxylic acid;2-(4-methylpiperazin-1-yl)acetic acid;1-methylpiperidine-4-carboxylic acid;2-(1-methylpiperidin-4-yl)acetic acid;3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;4-(1-methylpiperidin-4-yl)butanoic acid;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-1-methylpyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESC/N=C(\N)N1CCCN(C)CC1.CCCCN1CCN(CC(N)=O)CC1.CN1CCC(C(=O)O)CC1.CN1CCC(CC(=O)O)CC1.CN1CCC(CC(N)C(=O)O)CC1.CN1CCC(CCCC(=O)O)CC1.CN1CCC(N2CCC[C@H]2C(N)=O)CC1.CN1CCC(n2c(=O)[nH]c3ccccc32)CC1.CN1CCC[C@@H]1C(=O)O.CN1CCN(CC(=O)O)CC1.CN1CCNC(C(=O)O)C1.CN1CCc2[nH]ncc2C1.CNC1CCN(CC(N)=O)CC1.CNC1CN[C@H](C(=O)O)C1.CNCc1cn2ccccc2n1.CNCc1cnc(C)cn1.CN[C@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C13H17N3O.C11H21N3O.C10H21N3O.C10H19NO2.C9H11N3.C9H18N2O2.C8H18N4.C8H17N3O.C8H15NO2.2C7H11N3.C7H14N2O2.C7H13NO2.3C6H12N2O2.C6H11NO2/c1-15-8-6-10(7-9-15)16-12-5-3-2-4-11(12)14-13(16)17;1-13-7-4-9(5-8-13)14-6-2-3-10(14)11(12)15;1-2-3-4-12-5-7-13(8-6-12)9-10(11)14;1-11-7-5-9(6-8-11)3-2-4-10(12)13;1-10-6-8-7-12-5-3-2-4-9(12)11-8;1-11-4-2-7(3-5-11)6-8(10)9(12)13;1-10-8(9)12-5-3-4-11(2)6-7-12;1-10-7-2-4-11(5-3-7)6-8(9)12;1-9-4-2-7(3-5-9)6-8(10)11;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;1-8-4-2-6(3-5-8)7(9)10;2*1-7-4-2-5(6(9)10)8-3-4;1-8-3-2-7-5(4-8)6(9)10;1-7-4-2-3-5(7)6(8)9/h2-5,10H,6-9H2,1H3,(H,14,17);9-10H,2-8H2,1H3,(H2,12,15);2-9H2,1H3,(H2,11,14);9H,2-8H2,1H3,(H,12,13);2-5,7,10H,6H2,1H3;7-8H,2-6,10H2,1H3,(H,12,13);3-7H2,1-2H3,(H2,9,10);7,10H,2-6H2,1H3,(H2,9,12);7H,2-6H2,1H3,(H,10,11);4H,2-3,5H2,1H3,(H,8,9);3,5,8H,4H2,1-2H3;2-6H2,1H3,(H,10,11);6H,2-5H2,1H3,(H,9,10);2*4-5,7-8H,2-3H2,1H3,(H,9,10);5,7H,2-4H2,1H3,(H,9,10);5H,2-4H2,1H3,(H,8,9)/t;10-;;;;;;;;;;;;4?,5-;4-,5+;;5-/m.0...........01.1/s1
InChIKeyBWPXHPYQNHAMBA-WBOGSRGWSA-N
MW2810.79 g/mol
LogP1.62
Rot. Bonds33

About 2-amino-3-(1-methylpiperidin-4-yl)propanoic acid;2-(4-butylpiperazin-1-yl)acetamide;N',4-dimethyl-1,4-diazepane-1-carboximidamide;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;2-[4-(methylamino)piperidin-1-yl]acetamide;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;(2S,4R)-4-(methylamino)pyrrolidine-2-carboxylic acid;N-methyl-1-(5-methylpyrazin-2-yl)methanamine;4-methylpiperazine-2-carboxylic acid;2-(4-methylpiperazin-1-yl)acetic acid;1-methylpiperidine-4-carboxylic acid;2-(1-methylpiperidin-4-yl)acetic acid;3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;4-(1-methylpiperidin-4-yl)butanoic acid;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-1-methylpyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

2-amino-3-(1-methylpiperidin-4-yl)propanoic acid;2-(4-butylpiperazin-1-yl)acetamide;N',4-dimethyl-1,4-diazepane-1-carboximidamide;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;2-[4-(methylamino)piperidin-1-yl]acetamide;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;(2S,4R)-4-(methylamino)pyrrolidine-2-carboxylic acid;N-methyl-1-(5-methylpyrazin-2-yl)methanamine;4-methylpiperazine-2-carboxylic acid;2-(4-methylpiperazin-1-yl)acetic acid;1-methylpiperidine-4-carboxylic acid;2-(1-methylpiperidin-4-yl)acetic acid;3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;4-(1-methylpiperidin-4-yl)butanoic acid;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-1-methylpyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 157485149) has the molecular formula C138H253N39O22 and a molecular weight of 2810.79 g/mol. Its IUPAC name is 2-amino-3-(1-methylpiperidin-4-yl)propanoic acid;2-(4-butylpiperazin-1-yl)acetamide;N',4-dimethyl-1,4-diazepane-1-carboximidamide;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;2-[4-(methylamino)piperidin-1-yl]acetamide;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;(2S,4R)-4-(methylamino)pyrrolidine-2-carboxylic acid;N-methyl-1-(5-methylpyrazin-2-yl)methanamine;4-methylpiperazine-2-carboxylic acid;2-(4-methylpiperazin-1-yl)acetic acid;1-methylpiperidine-4-carboxylic acid;2-(1-methylpiperidin-4-yl)acetic acid;3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;4-(1-methylpiperidin-4-yl)butanoic acid;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-1-methylpyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-amino-3-(1-methylpiperidin-4-yl)propanoic acid;2-(4-butylpiperazin-1-yl)acetamide;N',4-dimethyl-1,4-diazepane-1-carboximidamide;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;2-[4-(methylamino)piperidin-1-yl]acetamide;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;(2S,4R)-4-(methylamino)pyrrolidine-2-carboxylic acid;N-methyl-1-(5-methylpyrazin-2-yl)methanamine;4-methylpiperazine-2-carboxylic acid;2-(4-methylpiperazin-1-yl)acetic acid;1-methylpiperidine-4-carboxylic acid;2-(1-methylpiperidin-4-yl)acetic acid;3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;4-(1-methylpiperidin-4-yl)butanoic acid;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-1-methylpyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID157485149
Molecular FormulaC138H253N39O22
Molecular Weight2810.79 g/mol
Exact Mass2808.99
IUPAC Name2-amino-3-(1-methylpiperidin-4-yl)propanoic acid;2-(4-butylpiperazin-1-yl)acetamide;N',4-dimethyl-1,4-diazepane-1-carboximidamide;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;2-[4-(methylamino)piperidin-1-yl]acetamide;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;(2S,4R)-4-(methylamino)pyrrolidine-2-carboxylic acid;N-methyl-1-(5-methylpyrazin-2-yl)methanamine;4-methylpiperazine-2-carboxylic acid;2-(4-methylpiperazin-1-yl)acetic acid;1-methylpiperidine-4-carboxylic acid;2-(1-methylpiperidin-4-yl)acetic acid;3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;4-(1-methylpiperidin-4-yl)butanoic acid;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-1-methylpyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESC/N=C(\N)N1CCCN(C)CC1.CCCCN1CCN(CC(N)=O)CC1.CN1CCC(C(=O)O)CC1.CN1CCC(CC(=O)O)CC1.CN1CCC(CC(N)C(=O)O)CC1.CN1CCC(CCCC(=O)O)CC1.CN1CCC(N2CCC[C@H]2C(N)=O)CC1.CN1CCC(n2c(=O)[nH]c3ccccc32)CC1.CN1CCC[C@@H]1C(=O)O.CN1CCN(CC(=O)O)CC1.CN1CCNC(C(=O)O)C1.CN1CCc2[nH]ncc2C1.CNC1CCN(CC(N)=O)CC1.CNC1CN[C@H](C(=O)O)C1.CNCc1cn2ccccc2n1.CNCc1cnc(C)cn1.CN[C@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C13H17N3O.C11H21N3O.C10H21N3O.C10H19NO2.C9H11N3.C9H18N2O2.C8H18N4.C8H17N3O.C8H15NO2.2C7H11N3.C7H14N2O2.C7H13NO2.3C6H12N2O2.C6H11NO2/c1-15-8-6-10(7-9-15)16-12-5-3-2-4-11(12)14-13(16)17;1-13-7-4-9(5-8-13)14-6-2-3-10(14)11(12)15;1-2-3-4-12-5-7-13(8-6-12)9-10(11)14;1-11-7-5-9(6-8-11)3-2-4-10(12)13;1-10-6-8-7-12-5-3-2-4-9(12)11-8;1-11-4-2-7(3-5-11)6-8(10)9(12)13;1-10-8(9)12-5-3-4-11(2)6-7-12;1-10-7-2-4-11(5-3-7)6-8(9)12;1-9-4-2-7(3-5-9)6-8(10)11;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;1-8-4-2-6(3-5-8)7(9)10;2*1-7-4-2-5(6(9)10)8-3-4;1-8-3-2-7-5(4-8)6(9)10;1-7-4-2-3-5(7)6(8)9/h2-5,10H,6-9H2,1H3,(H,14,17);9-10H,2-8H2,1H3,(H2,12,15);2-9H2,1H3,(H2,11,14);9H,2-8H2,1H3,(H,12,13);2-5,7,10H,6H2,1H3;7-8H,2-6,10H2,1H3,(H,12,13);3-7H2,1-2H3,(H2,9,10);7,10H,2-6H2,1H3,(H2,9,12);7H,2-6H2,1H3,(H,10,11);4H,2-3,5H2,1H3,(H,8,9);3,5,8H,4H2,1-2H3;2-6H2,1H3,(H,10,11);6H,2-5H2,1H3,(H,9,10);2*4-5,7-8H,2-3H2,1H3,(H,9,10);5,7H,2-4H2,1H3,(H,9,10);5H,2-4H2,1H3,(H,8,9)/t;10-;;;;;;;;;;;;4?,5-;4-,5+;;5-/m.0...........01.1/s1
InChIKeyBWPXHPYQNHAMBA-WBOGSRGWSA-N
XLogP1.62
TPSA790.24 Ų
H-Bond Donors24
H-Bond Acceptors45
Rotatable Bonds33
Heavy Atoms199
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002810.79
LogP ≤ 51.62
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

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

Analyze 2-amino-3-(1-methylpiperidin-4-yl)propanoic acid;2-(4-butylpiperazin-1-yl)acetamide;N',4-dimethyl-1,4-diazepane-1-carboximidamide;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;2-[4-(methylamino)piperidin-1-yl]acetamide;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;(2S,4R)-4-(methylamino)pyrrolidine-2-carboxylic acid;N-methyl-1-(5-methylpyrazin-2-yl)methanamine;4-methylpiperazine-2-carboxylic acid;2-(4-methylpiperazin-1-yl)acetic acid;1-methylpiperidine-4-carboxylic acid;2-(1-methylpiperidin-4-yl)acetic acid;3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;4-(1-methylpiperidin-4-yl)butanoic acid;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-1-methylpyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine with MolForge

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Related Compounds

6-chloro-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-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-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 157296290
4-amino-1-methylpiperidine-4-carboxylic acid;2-(4-butylpiperazin-1-yl)acetamide;6-chloro-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-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;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;8-methyl-2,8-diazaspiro[4.5]decan-1-one;4-methylpiperazine-2-carboxylic acid;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 157330348
4-amino-1-methylpiperidine-4-carboxylic acid;1-(4-butylpiperazin-1-yl)propan-2-one;6-chloro-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-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;1-[4-(methylamino)piperidin-1-yl]propan-2-one;4-(methylamino)pyrrolidine-2-carboxylic acid;8-methyl-2,8-diazaspiro[4.5]decan-1-one;4-methylpiperazine-2-carboxylic acid;1-methylpiperidine-4-carboxylic acid;2-(1-methylpiperidin-4-yl)acetic acid;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-(1-methylpiperidin-4-yl)pentan-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 157591299
4-amino-1-methylpiperidine-4-carboxylic acid;2-(4-butylpiperazin-1-yl)acetamide;6-chloro-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-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;2-[4-(methylamino)piperidin-1-yl]acetamide;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;8-methyl-2,8-diazaspiro[4.5]decan-1-one;4-methylpiperazine-2-carboxylic acid;2-(4-methylpiperazin-1-yl)acetic acid;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 157689459
2-amino-3-(1-methylpiperidin-4-yl)propanoic acid;2-(4-butylpiperazin-1-yl)acetamide;1-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1,4-diazepane;N',4-dimethyl-1,4-diazepane-1-carboximidamide;1-(1,3-dioxolan-2-yl)-N-methylmethanamine;1-ethyl-4-methyl-1,4-diazepane;2-[4-(methylamino)piperazin-1-yl]acetamide;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;(2S,4R)-4-(methylamino)pyrrolidine-2-carboxylic acid;4-methylpiperazine-2-carboxylic acid;2-(4-methylpiperazin-1-yl)acetic acid;2-(4-methylpiperazin-1-yl)pyrazine;2-(4-methylpiperazin-1-yl)pyrimidine;1-methylpiperidine-4-carboxylic acid;2-(1-methylpiperidin-4-yl)acetic acid;3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;4-(1-methylpiperidin-4-yl)butanoic acid;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-1-methylpyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 158181977
4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 158220640
4-amino-1-methylpiperidine-4-carboxylic acid;2-(4-butylpiperazin-1-yl)acetamide;6-chloro-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-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;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;8-methyl-2,8-diazaspiro[4.5]decan-1-one;4-methylpiperazine-2-carboxylic acid;1-methylpiperidine-4-carboxylic acid;2-(1-methylpiperidin-4-yl)acetic acid;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 158223431
CID 158434168
CID 158434168
4-amino-1-methylpiperidine-4-carboxylic acid;6-chloro-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-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;methane;8-methyl-2,8-diazaspiro[4.5]decan-1-one;2-(1-methylpiperidin-4-yl)acetic acid;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 158462283
CID 158739036
CID 158739036
1-(4-amino-1-methylpiperidin-4-yl)ethanone;1-(4-butylpiperazin-1-yl)propan-2-one;5-chloro-1-(1-methylpiperidin-4-yl)-3H-indol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;4-(2,5-dimethylimidazol-1-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;1-[4-(methylamino)piperidin-1-yl]propan-2-one;4-(methylamino)pyrrolidine-2-carboxylic acid;8-methyl-2,8-diazaspiro[4.5]decan-1-one;1-(4-methylpiperazin-2-yl)ethanone;1-methylpiperidine-4-carboxylic acid;2-(1-methylpiperidin-4-yl)acetic acid;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 158869557
3-phenyl-2-(prop-2-enoylamino)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]propanamide;2-(prop-2-enoylamino)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]propanamide;(2S)-1-prop-2-enoyl-N-[3-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)cyclobutyl]pyrrolidine-2-carboxamide;2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl (2S)-1-prop-2-enoylpyrrolidine-2-carboxylate;1-[3-[(3S)-3-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 159109581

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-methylpiperidin-4-yl)propanoic acid;2-(4-butylpiperazin-1-yl)acetamide;N',4-dimethyl-1,4-diazepane-1-carboximidamide;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;2-[4-(methylamino)piperidin-1-yl]acetamide;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;(2S,4R)-4-(methylamino)pyrrolidine-2-carboxylic acid;N-methyl-1-(5-methylpyrazin-2-yl)methanamine;4-methylpiperazine-2-carboxylic acid;2-(4-methylpiperazin-1-yl)acetic acid;1-methylpiperidine-4-carboxylic acid;2-(1-methylpiperidin-4-yl)acetic acid;3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;4-(1-methylpiperidin-4-yl)butanoic acid;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-1-methylpyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 2-amino-3-(1-methylpiperidin-4-yl)propanoic acid;2-(4-butylpiperazin-1-yl)acetamide;N',4-dimethyl-1,4-diazepane-1-carboximidamide;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;2-[4-(methylamino)piperidin-1-yl]acetamide;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;(2S,4R)-4-(methylamino)pyrrolidine-2-carboxylic acid;N-methyl-1-(5-methylpyrazin-2-yl)methanamine;4-methylpiperazine-2-carboxylic acid;2-(4-methylpiperazin-1-yl)acetic acid;1-methylpiperidine-4-carboxylic acid;2-(1-methylpiperidin-4-yl)acetic acid;3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;4-(1-methylpiperidin-4-yl)butanoic acid;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-1-methylpyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 157485149) is 2-amino-3-(1-methylpiperidin-4-yl)propanoic acid;2-(4-butylpiperazin-1-yl)acetamide;N',4-dimethyl-1,4-diazepane-1-carboximidamide;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;2-[4-(methylamino)piperidin-1-yl]acetamide;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;(2S,4R)-4-(methylamino)pyrrolidine-2-carboxylic acid;N-methyl-1-(5-methylpyrazin-2-yl)methanamine;4-methylpiperazine-2-carboxylic acid;2-(4-methylpiperazin-1-yl)acetic acid;1-methylpiperidine-4-carboxylic acid;2-(1-methylpiperidin-4-yl)acetic acid;3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;4-(1-methylpiperidin-4-yl)butanoic acid;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-1-methylpyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 2-amino-3-(1-methylpiperidin-4-yl)propanoic acid;2-(4-butylpiperazin-1-yl)acetamide;N',4-dimethyl-1,4-diazepane-1-carboximidamide;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;2-[4-(methylamino)piperidin-1-yl]acetamide;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;(2S,4R)-4-(methylamino)pyrrolidine-2-carboxylic acid;N-methyl-1-(5-methylpyrazin-2-yl)methanamine;4-methylpiperazine-2-carboxylic acid;2-(4-methylpiperazin-1-yl)acetic acid;1-methylpiperidine-4-carboxylic acid;2-(1-methylpiperidin-4-yl)acetic acid;3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;4-(1-methylpiperidin-4-yl)butanoic acid;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-1-methylpyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 2-amino-3-(1-methylpiperidin-4-yl)propanoic acid;2-(4-butylpiperazin-1-yl)acetamide;N',4-dimethyl-1,4-diazepane-1-carboximidamide;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;2-[4-(methylamino)piperidin-1-yl]acetamide;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;(2S,4R)-4-(methylamino)pyrrolidine-2-carboxylic acid;N-methyl-1-(5-methylpyrazin-2-yl)methanamine;4-methylpiperazine-2-carboxylic acid;2-(4-methylpiperazin-1-yl)acetic acid;1-methylpiperidine-4-carboxylic acid;2-(1-methylpiperidin-4-yl)acetic acid;3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;4-(1-methylpiperidin-4-yl)butanoic acid;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-1-methylpyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is C/N=C(\N)N1CCCN(C)CC1.CCCCN1CCN(CC(N)=O)CC1.CN1CCC(C(=O)O)CC1.CN1CCC(CC(=O)O)CC1.CN1CCC(CC(N)C(=O)O)CC1.CN1CCC(CCCC(=O)O)CC1.CN1CCC(N2CCC[C@H]2C(N)=O)CC1.CN1CCC(n2c(=O)[nH]c3ccccc32)CC1.CN1CCC[C@@H]1C(=O)O.CN1CCN(CC(=O)O)CC1.CN1CCNC(C(=O)O)C1.CN1CCc2[nH]ncc2C1.CNC1CCN(CC(N)=O)CC1.CNC1CN[C@H](C(=O)O)C1.CNCc1cn2ccccc2n1.CNCc1cnc(C)cn1.CN[C@H]1CN[C@H](C(=O)O)C1.
What is the InChIKey of 2-amino-3-(1-methylpiperidin-4-yl)propanoic acid;2-(4-butylpiperazin-1-yl)acetamide;N',4-dimethyl-1,4-diazepane-1-carboximidamide;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;2-[4-(methylamino)piperidin-1-yl]acetamide;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;(2S,4R)-4-(methylamino)pyrrolidine-2-carboxylic acid;N-methyl-1-(5-methylpyrazin-2-yl)methanamine;4-methylpiperazine-2-carboxylic acid;2-(4-methylpiperazin-1-yl)acetic acid;1-methylpiperidine-4-carboxylic acid;2-(1-methylpiperidin-4-yl)acetic acid;3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;4-(1-methylpiperidin-4-yl)butanoic acid;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-1-methylpyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is BWPXHPYQNHAMBA-WBOGSRGWSA-N. The full InChI is InChI=1S/C13H17N3O.C11H21N3O.C10H21N3O.C10H19NO2.C9H11N3.C9H18N2O2.C8H18N4.C8H17N3O.C8H15NO2.2C7H11N3.C7H14N2O2.C7H13NO2.3C6H12N2O2.C6H11NO2/c1-15-8-6-10(7-9-15)16-12-5-3-2-4-11(12)14-13(16)17;1-13-7-4-9(5-8-13)14-6-2-3-10(14)11(12)15;1-2-3-4-12-5-7-13(8-6-12)9-10(11)14;1-11-7-5-9(6-8-11)3-2-4-10(12)13;1-10-6-8-7-12-5-3-2-4-9(12)11-8;1-11-4-2-7(3-5-11)6-8(10)9(12)13;1-10-8(9)12-5-3-4-11(2)6-7-12;1-10-7-2-4-11(5-3-7)6-8(9)12;1-9-4-2-7(3-5-9)6-8(10)11;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;1-8-4-2-6(3-5-8)7(9)10;2*1-7-4-2-5(6(9)10)8-3-4;1-8-3-2-7-5(4-8)6(9)10;1-7-4-2-3-5(7)6(8)9/h2-5,10H,6-9H2,1H3,(H,14,17);9-10H,2-8H2,1H3,(H2,12,15);2-9H2,1H3,(H2,11,14);9H,2-8H2,1H3,(H,12,13);2-5,7,10H,6H2,1H3;7-8H,2-6,10H2,1H3,(H,12,13);3-7H2,1-2H3,(H2,9,10);7,10H,2-6H2,1H3,(H2,9,12);7H,2-6H2,1H3,(H,10,11);4H,2-3,5H2,1H3,(H,8,9);3,5,8H,4H2,1-2H3;2-6H2,1H3,(H,10,11);6H,2-5H2,1H3,(H,9,10);2*4-5,7-8H,2-3H2,1H3,(H,9,10);5,7H,2-4H2,1H3,(H,9,10);5H,2-4H2,1H3,(H,8,9)/t;10-;;;;;;;;;;;;4?,5-;4-,5+;;5-/m.0...........01.1/s1.
What are the key properties of 2-amino-3-(1-methylpiperidin-4-yl)propanoic acid;2-(4-butylpiperazin-1-yl)acetamide;N',4-dimethyl-1,4-diazepane-1-carboximidamide;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;2-[4-(methylamino)piperidin-1-yl]acetamide;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;(2S,4R)-4-(methylamino)pyrrolidine-2-carboxylic acid;N-methyl-1-(5-methylpyrazin-2-yl)methanamine;4-methylpiperazine-2-carboxylic acid;2-(4-methylpiperazin-1-yl)acetic acid;1-methylpiperidine-4-carboxylic acid;2-(1-methylpiperidin-4-yl)acetic acid;3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;4-(1-methylpiperidin-4-yl)butanoic acid;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-1-methylpyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
2-amino-3-(1-methylpiperidin-4-yl)propanoic acid;2-(4-butylpiperazin-1-yl)acetamide;N',4-dimethyl-1,4-diazepane-1-carboximidamide;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;2-[4-(methylamino)piperidin-1-yl]acetamide;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;(2S,4R)-4-(methylamino)pyrrolidine-2-carboxylic acid;N-methyl-1-(5-methylpyrazin-2-yl)methanamine;4-methylpiperazine-2-carboxylic acid;2-(4-methylpiperazin-1-yl)acetic acid;1-methylpiperidine-4-carboxylic acid;2-(1-methylpiperidin-4-yl)acetic acid;3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;4-(1-methylpiperidin-4-yl)butanoic acid;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-1-methylpyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 2810.79 g/mol, XLogP of 1.62, 33 rotatable bonds, 24 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-methylpiperidin-4-yl)propanoic acid;2-(4-butylpiperazin-1-yl)acetamide;N',4-dimethyl-1,4-diazepane-1-carboximidamide;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;2-[4-(methylamino)piperidin-1-yl]acetamide;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;(2S,4R)-4-(methylamino)pyrrolidine-2-carboxylic acid;N-methyl-1-(5-methylpyrazin-2-yl)methanamine;4-methylpiperazine-2-carboxylic acid;2-(4-methylpiperazin-1-yl)acetic acid;1-methylpiperidine-4-carboxylic acid;2-(1-methylpiperidin-4-yl)acetic acid;3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;4-(1-methylpiperidin-4-yl)butanoic acid;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-1-methylpyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 157485149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).