2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperazin-1-yl)methanone;[2-(dimethylamino)phenyl]-(4-methylpiperazin-1-yl)methanone;furan-2-yl-(4-methylpiperazin-1-yl)methanone;2-(1H-imidazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone;(3-isocyanophenyl)-(4-methylpiperazin-1-yl)methanone;1-(2-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one;(1-methylimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone;1-methyl-4-(4-methylpiperazine-1-carbonyl)imidazolidin-2-one;3-(4-methylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one;(4-methylpiperazin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone;3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyridin-2-one;(4-methylpiperazin-1-yl)-(oxolan-2-yl)methanone;(4-methylpiperazin-1-yl)-pyridin-3-ylmethanone;1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one

C164H241N43O23S — CID 158157933

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperazin-1-yl)methanone;[2-(dimethylamino)phenyl]-(4-methylpiperazin-1-yl)methanone;furan-2-yl-(4-methylpiperazin-1-yl)methanone;2-(1H-imidazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone;(3-isocyanophenyl)-(4-methylpiperazin-1-yl)methanone;1-(2-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one;(1-methylimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone;1-methyl-4-(4-methylpiperazine-1-carbonyl)imidazolidin-2-one;3-(4-methylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one;(4-methylpiperazin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone;3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyridin-2-one;(4-methylpiperazin-1-yl)-(oxolan-2-yl)methanone;(4-methylpiperazin-1-yl)-pyridin-3-ylmethanone;1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
SMILESCN1CCN(C(=O)C2=NNC(=O)CC2)CC1.CN1CCN(C(=O)C2CCCO2)CC1.CN1CCN(C(=O)C2CN(C)C(=O)N2)CC1.CN1CCN(C(=O)CCc2cccnc2)CC1.CN1CCN(C(=O)Cc2ccc[nH]c2=O)CC1.CN1CCN(C(=O)Cc2cnc[nH]2)CC1.CN1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1.CN1CCN(C(=O)c2ccccc2N(C)C)CC1.CN1CCN(C(=O)c2cccnc2)CC1.CN1CCN(C(=O)c2ccco2)CC1.CN1CCN(C(=O)c2nccn2C)CC1.COc1ccccc1N1CC(C(=O)N2CCN(C)CC2)CC1=O.Cc1ncsc1C(=O)N1CCN(C)CC1.[C-]#[N+]c1cccc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C17H23N3O3.C14H21N3O.C14H18N2O3.C13H15N3O.C13H19N3O.C12H17N3O2.C11H15N3O.C10H18N4O2.C10H16N4O2.2C10H16N4O.C10H15N3OS.C10H18N2O2.C10H14N2O2/c1-18-7-9-19(10-8-18)17(22)13-11-16(21)20(12-13)14-5-3-4-6-15(14)23-2;1-15(2)13-7-5-4-6-12(13)14(18)17-10-8-16(3)9-11-17;1-15-4-6-16(7-5-15)14(17)11-2-3-12-13(10-11)19-9-8-18-12;1-14-12-5-3-4-11(10-12)13(17)16-8-6-15(2)7-9-16;1-15-7-9-16(10-8-15)13(17)5-4-12-3-2-6-14-11-12;1-14-5-7-15(8-6-14)11(16)9-10-3-2-4-13-12(10)17;1-13-5-7-14(8-6-13)11(15)10-3-2-4-12-9-10;1-12-3-5-14(6-4-12)9(15)8-7-13(2)10(16)11-8;1-13-4-6-14(7-5-13)10(16)8-2-3-9(15)12-11-8;1-12-5-7-14(8-6-12)10(15)9-11-3-4-13(9)2;1-13-2-4-14(5-3-13)10(15)6-9-7-11-8-12-9;1-8-9(15-7-11-8)10(14)13-5-3-12(2)4-6-13;2*1-11-4-6-12(7-5-11)10(13)9-3-2-8-14-9/h3-6,13H,7-12H2,1-2H3;4-7H,8-11H2,1-3H3;2-3,10H,4-9H2,1H3;3-5,10H,6-9H2,2H3;2-3,6,11H,4-5,7-10H2,1H3;2-4H,5-9H2,1H3,(H,13,17);2-4,9H,5-8H2,1H3;8H,3-7H2,1-2H3,(H,11,16);2-7H2,1H3,(H,12,15);3-4H,5-8H2,1-2H3;7-8H,2-6H2,1H3,(H,11,12);7H,3-6H2,1-2H3;9H,2-8H2,1H3;2-3,8H,4-7H2,1H3
InChIKeyFVXOBBJDRQJGIO-UHFFFAOYSA-N
MW3215.08 g/mol
LogP4.17
Rot. Bonds21

About 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperazin-1-yl)methanone;[2-(dimethylamino)phenyl]-(4-methylpiperazin-1-yl)methanone;furan-2-yl-(4-methylpiperazin-1-yl)methanone;2-(1H-imidazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone;(3-isocyanophenyl)-(4-methylpiperazin-1-yl)methanone;1-(2-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one;(1-methylimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone;1-methyl-4-(4-methylpiperazine-1-carbonyl)imidazolidin-2-one;3-(4-methylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one;(4-methylpiperazin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone;3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyridin-2-one;(4-methylpiperazin-1-yl)-(oxolan-2-yl)methanone;(4-methylpiperazin-1-yl)-pyridin-3-ylmethanone;1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one

2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperazin-1-yl)methanone;[2-(dimethylamino)phenyl]-(4-methylpiperazin-1-yl)methanone;furan-2-yl-(4-methylpiperazin-1-yl)methanone;2-(1H-imidazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone;(3-isocyanophenyl)-(4-methylpiperazin-1-yl)methanone;1-(2-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one;(1-methylimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone;1-methyl-4-(4-methylpiperazine-1-carbonyl)imidazolidin-2-one;3-(4-methylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one;(4-methylpiperazin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone;3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyridin-2-one;(4-methylpiperazin-1-yl)-(oxolan-2-yl)methanone;(4-methylpiperazin-1-yl)-pyridin-3-ylmethanone;1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one (PubChem CID 158157933) has the molecular formula C164H241N43O23S and a molecular weight of 3215.08 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperazin-1-yl)methanone;[2-(dimethylamino)phenyl]-(4-methylpiperazin-1-yl)methanone;furan-2-yl-(4-methylpiperazin-1-yl)methanone;2-(1H-imidazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone;(3-isocyanophenyl)-(4-methylpiperazin-1-yl)methanone;1-(2-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one;(1-methylimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone;1-methyl-4-(4-methylpiperazine-1-carbonyl)imidazolidin-2-one;3-(4-methylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one;(4-methylpiperazin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone;3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyridin-2-one;(4-methylpiperazin-1-yl)-(oxolan-2-yl)methanone;(4-methylpiperazin-1-yl)-pyridin-3-ylmethanone;1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperazin-1-yl)methanone;[2-(dimethylamino)phenyl]-(4-methylpiperazin-1-yl)methanone;furan-2-yl-(4-methylpiperazin-1-yl)methanone;2-(1H-imidazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone;(3-isocyanophenyl)-(4-methylpiperazin-1-yl)methanone;1-(2-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one;(1-methylimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone;1-methyl-4-(4-methylpiperazine-1-carbonyl)imidazolidin-2-one;3-(4-methylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one;(4-methylpiperazin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone;3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyridin-2-one;(4-methylpiperazin-1-yl)-(oxolan-2-yl)methanone;(4-methylpiperazin-1-yl)-pyridin-3-ylmethanone;1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
PubChem CID158157933
Molecular FormulaC164H241N43O23S
Molecular Weight3215.08 g/mol
Exact Mass3212.87
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperazin-1-yl)methanone;[2-(dimethylamino)phenyl]-(4-methylpiperazin-1-yl)methanone;furan-2-yl-(4-methylpiperazin-1-yl)methanone;2-(1H-imidazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone;(3-isocyanophenyl)-(4-methylpiperazin-1-yl)methanone;1-(2-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one;(1-methylimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone;1-methyl-4-(4-methylpiperazine-1-carbonyl)imidazolidin-2-one;3-(4-methylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one;(4-methylpiperazin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone;3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyridin-2-one;(4-methylpiperazin-1-yl)-(oxolan-2-yl)methanone;(4-methylpiperazin-1-yl)-pyridin-3-ylmethanone;1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
SMILESCN1CCN(C(=O)C2=NNC(=O)CC2)CC1.CN1CCN(C(=O)C2CCCO2)CC1.CN1CCN(C(=O)C2CN(C)C(=O)N2)CC1.CN1CCN(C(=O)CCc2cccnc2)CC1.CN1CCN(C(=O)Cc2ccc[nH]c2=O)CC1.CN1CCN(C(=O)Cc2cnc[nH]2)CC1.CN1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1.CN1CCN(C(=O)c2ccccc2N(C)C)CC1.CN1CCN(C(=O)c2cccnc2)CC1.CN1CCN(C(=O)c2ccco2)CC1.CN1CCN(C(=O)c2nccn2C)CC1.COc1ccccc1N1CC(C(=O)N2CCN(C)CC2)CC1=O.Cc1ncsc1C(=O)N1CCN(C)CC1.[C-]#[N+]c1cccc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C17H23N3O3.C14H21N3O.C14H18N2O3.C13H15N3O.C13H19N3O.C12H17N3O2.C11H15N3O.C10H18N4O2.C10H16N4O2.2C10H16N4O.C10H15N3OS.C10H18N2O2.C10H14N2O2/c1-18-7-9-19(10-8-18)17(22)13-11-16(21)20(12-13)14-5-3-4-6-15(14)23-2;1-15(2)13-7-5-4-6-12(13)14(18)17-10-8-16(3)9-11-17;1-15-4-6-16(7-5-15)14(17)11-2-3-12-13(10-11)19-9-8-18-12;1-14-12-5-3-4-11(10-12)13(17)16-8-6-15(2)7-9-16;1-15-7-9-16(10-8-15)13(17)5-4-12-3-2-6-14-11-12;1-14-5-7-15(8-6-14)11(16)9-10-3-2-4-13-12(10)17;1-13-5-7-14(8-6-13)11(15)10-3-2-4-12-9-10;1-12-3-5-14(6-4-12)9(15)8-7-13(2)10(16)11-8;1-13-4-6-14(7-5-13)10(16)8-2-3-9(15)12-11-8;1-12-5-7-14(8-6-12)10(15)9-11-3-4-13(9)2;1-13-2-4-14(5-3-13)10(15)6-9-7-11-8-12-9;1-8-9(15-7-11-8)10(14)13-5-3-12(2)4-6-13;2*1-11-4-6-12(7-5-11)10(13)9-3-2-8-14-9/h3-6,13H,7-12H2,1-2H3;4-7H,8-11H2,1-3H3;2-3,10H,4-9H2,1H3;3-5,10H,6-9H2,2H3;2-3,6,11H,4-5,7-10H2,1H3;2-4H,5-9H2,1H3,(H,13,17);2-4,9H,5-8H2,1H3;8H,3-7H2,1-2H3,(H,11,16);2-7H2,1H3,(H,12,15);3-4H,5-8H2,1-2H3;7-8H,2-6H2,1H3,(H,11,12);7H,3-6H2,1-2H3;9H,2-8H2,1H3;2-3,8H,4-7H2,1H3
InChIKeyFVXOBBJDRQJGIO-UHFFFAOYSA-N
XLogP4.17
TPSA599.50 Ų
H-Bond Donors4
H-Bond Acceptors46
Rotatable Bonds21
Heavy Atoms231
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003215.08
LogP ≤ 54.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperazin-1-yl)methanone;[2-(dimethylamino)phenyl]-(4-methylpiperazin-1-yl)methanone;furan-2-yl-(4-methylpiperazin-1-yl)methanone;2-(1H-imidazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone;(3-isocyanophenyl)-(4-methylpiperazin-1-yl)methanone;1-(2-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one;(1-methylimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone;1-methyl-4-(4-methylpiperazine-1-carbonyl)imidazolidin-2-one;3-(4-methylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one;(4-methylpiperazin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone;3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyridin-2-one;(4-methylpiperazin-1-yl)-(oxolan-2-yl)methanone;(4-methylpiperazin-1-yl)-pyridin-3-ylmethanone;1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(furan-2-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;1-phenoxy-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one
CID 158728891
6-(cyclopropylamino)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;3-(3,4-dimethoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-fluoro-N-[5-(6-methyl-2-pyridinyl)-4H-pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide;2-(methoxymethyl)-4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;2-[2-methoxy-4-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenoxy]acetamide;4-[(1-methylimidazol-2-yl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;5-methyl-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)hexan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 157633867
1-benzyl-6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridazine-3-carboxamide;2-(3,4-dimethoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;2-(4-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide;3-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4H-1,4-benzoxazine-7-carboxamide;6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyridine-3-carboxamide;2-(4-oxoquinazolin-3-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 159227714
1-benzyl-6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridazine-3-carboxamide;2-(3,4-dimethoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;2-(4-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide;3-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4H-1,4-benzoxazine-7-carboxamide;6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyridine-3-carboxamide;N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide
CID 160116702
1-benzyl-6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridazine-3-carboxamide;2-(3,4-dimethoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;3-(dimethylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)azetidine-1-carboxamide;2-(4-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;1-(2-methylpropyl)-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;3-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4H-1,4-benzoxazine-7-carboxamide;6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyridine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide
CID 160506742

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperazin-1-yl)methanone;[2-(dimethylamino)phenyl]-(4-methylpiperazin-1-yl)methanone;furan-2-yl-(4-methylpiperazin-1-yl)methanone;2-(1H-imidazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone;(3-isocyanophenyl)-(4-methylpiperazin-1-yl)methanone;1-(2-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one;(1-methylimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone;1-methyl-4-(4-methylpiperazine-1-carbonyl)imidazolidin-2-one;3-(4-methylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one;(4-methylpiperazin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone;3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyridin-2-one;(4-methylpiperazin-1-yl)-(oxolan-2-yl)methanone;(4-methylpiperazin-1-yl)-pyridin-3-ylmethanone;1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperazin-1-yl)methanone;[2-(dimethylamino)phenyl]-(4-methylpiperazin-1-yl)methanone;furan-2-yl-(4-methylpiperazin-1-yl)methanone;2-(1H-imidazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone;(3-isocyanophenyl)-(4-methylpiperazin-1-yl)methanone;1-(2-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one;(1-methylimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone;1-methyl-4-(4-methylpiperazine-1-carbonyl)imidazolidin-2-one;3-(4-methylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one;(4-methylpiperazin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone;3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyridin-2-one;(4-methylpiperazin-1-yl)-(oxolan-2-yl)methanone;(4-methylpiperazin-1-yl)-pyridin-3-ylmethanone;1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one (CID 158157933) is 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperazin-1-yl)methanone;[2-(dimethylamino)phenyl]-(4-methylpiperazin-1-yl)methanone;furan-2-yl-(4-methylpiperazin-1-yl)methanone;2-(1H-imidazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone;(3-isocyanophenyl)-(4-methylpiperazin-1-yl)methanone;1-(2-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one;(1-methylimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone;1-methyl-4-(4-methylpiperazine-1-carbonyl)imidazolidin-2-one;3-(4-methylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one;(4-methylpiperazin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone;3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyridin-2-one;(4-methylpiperazin-1-yl)-(oxolan-2-yl)methanone;(4-methylpiperazin-1-yl)-pyridin-3-ylmethanone;1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperazin-1-yl)methanone;[2-(dimethylamino)phenyl]-(4-methylpiperazin-1-yl)methanone;furan-2-yl-(4-methylpiperazin-1-yl)methanone;2-(1H-imidazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone;(3-isocyanophenyl)-(4-methylpiperazin-1-yl)methanone;1-(2-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one;(1-methylimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone;1-methyl-4-(4-methylpiperazine-1-carbonyl)imidazolidin-2-one;3-(4-methylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one;(4-methylpiperazin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone;3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyridin-2-one;(4-methylpiperazin-1-yl)-(oxolan-2-yl)methanone;(4-methylpiperazin-1-yl)-pyridin-3-ylmethanone;1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperazin-1-yl)methanone;[2-(dimethylamino)phenyl]-(4-methylpiperazin-1-yl)methanone;furan-2-yl-(4-methylpiperazin-1-yl)methanone;2-(1H-imidazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone;(3-isocyanophenyl)-(4-methylpiperazin-1-yl)methanone;1-(2-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one;(1-methylimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone;1-methyl-4-(4-methylpiperazine-1-carbonyl)imidazolidin-2-one;3-(4-methylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one;(4-methylpiperazin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone;3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyridin-2-one;(4-methylpiperazin-1-yl)-(oxolan-2-yl)methanone;(4-methylpiperazin-1-yl)-pyridin-3-ylmethanone;1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one is CN1CCN(C(=O)C2=NNC(=O)CC2)CC1.CN1CCN(C(=O)C2CCCO2)CC1.CN1CCN(C(=O)C2CN(C)C(=O)N2)CC1.CN1CCN(C(=O)CCc2cccnc2)CC1.CN1CCN(C(=O)Cc2ccc[nH]c2=O)CC1.CN1CCN(C(=O)Cc2cnc[nH]2)CC1.CN1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1.CN1CCN(C(=O)c2ccccc2N(C)C)CC1.CN1CCN(C(=O)c2cccnc2)CC1.CN1CCN(C(=O)c2ccco2)CC1.CN1CCN(C(=O)c2nccn2C)CC1.COc1ccccc1N1CC(C(=O)N2CCN(C)CC2)CC1=O.Cc1ncsc1C(=O)N1CCN(C)CC1.[C-]#[N+]c1cccc(C(=O)N2CCN(C)CC2)c1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperazin-1-yl)methanone;[2-(dimethylamino)phenyl]-(4-methylpiperazin-1-yl)methanone;furan-2-yl-(4-methylpiperazin-1-yl)methanone;2-(1H-imidazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone;(3-isocyanophenyl)-(4-methylpiperazin-1-yl)methanone;1-(2-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one;(1-methylimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone;1-methyl-4-(4-methylpiperazine-1-carbonyl)imidazolidin-2-one;3-(4-methylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one;(4-methylpiperazin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone;3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyridin-2-one;(4-methylpiperazin-1-yl)-(oxolan-2-yl)methanone;(4-methylpiperazin-1-yl)-pyridin-3-ylmethanone;1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one?
The InChIKey is FVXOBBJDRQJGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3.C14H21N3O.C14H18N2O3.C13H15N3O.C13H19N3O.C12H17N3O2.C11H15N3O.C10H18N4O2.C10H16N4O2.2C10H16N4O.C10H15N3OS.C10H18N2O2.C10H14N2O2/c1-18-7-9-19(10-8-18)17(22)13-11-16(21)20(12-13)14-5-3-4-6-15(14)23-2;1-15(2)13-7-5-4-6-12(13)14(18)17-10-8-16(3)9-11-17;1-15-4-6-16(7-5-15)14(17)11-2-3-12-13(10-11)19-9-8-18-12;1-14-12-5-3-4-11(10-12)13(17)16-8-6-15(2)7-9-16;1-15-7-9-16(10-8-15)13(17)5-4-12-3-2-6-14-11-12;1-14-5-7-15(8-6-14)11(16)9-10-3-2-4-13-12(10)17;1-13-5-7-14(8-6-13)11(15)10-3-2-4-12-9-10;1-12-3-5-14(6-4-12)9(15)8-7-13(2)10(16)11-8;1-13-4-6-14(7-5-13)10(16)8-2-3-9(15)12-11-8;1-12-5-7-14(8-6-12)10(15)9-11-3-4-13(9)2;1-13-2-4-14(5-3-13)10(15)6-9-7-11-8-12-9;1-8-9(15-7-11-8)10(14)13-5-3-12(2)4-6-13;2*1-11-4-6-12(7-5-11)10(13)9-3-2-8-14-9/h3-6,13H,7-12H2,1-2H3;4-7H,8-11H2,1-3H3;2-3,10H,4-9H2,1H3;3-5,10H,6-9H2,2H3;2-3,6,11H,4-5,7-10H2,1H3;2-4H,5-9H2,1H3,(H,13,17);2-4,9H,5-8H2,1H3;8H,3-7H2,1-2H3,(H,11,16);2-7H2,1H3,(H,12,15);3-4H,5-8H2,1-2H3;7-8H,2-6H2,1H3,(H,11,12);7H,3-6H2,1-2H3;9H,2-8H2,1H3;2-3,8H,4-7H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperazin-1-yl)methanone;[2-(dimethylamino)phenyl]-(4-methylpiperazin-1-yl)methanone;furan-2-yl-(4-methylpiperazin-1-yl)methanone;2-(1H-imidazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone;(3-isocyanophenyl)-(4-methylpiperazin-1-yl)methanone;1-(2-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one;(1-methylimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone;1-methyl-4-(4-methylpiperazine-1-carbonyl)imidazolidin-2-one;3-(4-methylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one;(4-methylpiperazin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone;3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyridin-2-one;(4-methylpiperazin-1-yl)-(oxolan-2-yl)methanone;(4-methylpiperazin-1-yl)-pyridin-3-ylmethanone;1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one?
2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperazin-1-yl)methanone;[2-(dimethylamino)phenyl]-(4-methylpiperazin-1-yl)methanone;furan-2-yl-(4-methylpiperazin-1-yl)methanone;2-(1H-imidazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone;(3-isocyanophenyl)-(4-methylpiperazin-1-yl)methanone;1-(2-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one;(1-methylimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone;1-methyl-4-(4-methylpiperazine-1-carbonyl)imidazolidin-2-one;3-(4-methylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one;(4-methylpiperazin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone;3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyridin-2-one;(4-methylpiperazin-1-yl)-(oxolan-2-yl)methanone;(4-methylpiperazin-1-yl)-pyridin-3-ylmethanone;1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one has a molecular weight of 3215.08 g/mol, XLogP of 4.17, 21 rotatable bonds, 4 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperazin-1-yl)methanone;[2-(dimethylamino)phenyl]-(4-methylpiperazin-1-yl)methanone;furan-2-yl-(4-methylpiperazin-1-yl)methanone;2-(1H-imidazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone;(3-isocyanophenyl)-(4-methylpiperazin-1-yl)methanone;1-(2-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one;(1-methylimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone;1-methyl-4-(4-methylpiperazine-1-carbonyl)imidazolidin-2-one;3-(4-methylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one;(4-methylpiperazin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone;3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyridin-2-one;(4-methylpiperazin-1-yl)-(oxolan-2-yl)methanone;(4-methylpiperazin-1-yl)-pyridin-3-ylmethanone;1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 158157933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).