1-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[(5-methyl-1,3-benzothiazol-2-yl)methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[(7-methyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;N-(2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;N-(4-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide

C100H141N19O11S — CID 158652157

IUPAC1-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[(5-methyl-1,3-benzothiazol-2-yl)methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[(7-methyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;N-(2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;N-(4-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide
SMILESCC(C)C(=O)N1CCN(Cc2nc3ccccc3o2)CC1.Cc1ccc(NC(=O)CN2CCN(C(=O)C(C)C)CC2)cc1.Cc1ccc(NC(=O)CN2CCN(C(=O)C(C)C)CC2)nc1.Cc1ccc2sc(CN3CCN(C(=O)C(C)C)CC3)nc2c1.Cc1cccc2nc(CN3CCN(C(=O)C(C)C)CC3)oc12.Cc1ccccc1NC(=O)CN1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C17H23N3O2.2C17H25N3O2.C17H23N3OS.C16H24N4O2.C16H21N3O2/c1-12(2)17(21)20-9-7-19(8-10-20)11-15-18-14-6-4-5-13(3)16(14)22-15;1-13(2)17(22)20-10-8-19(9-11-20)12-16(21)18-15-6-4-14(3)5-7-15;1-13(2)17(22)20-10-8-19(9-11-20)12-16(21)18-15-7-5-4-6-14(15)3;1-12(2)17(21)20-8-6-19(7-9-20)11-16-18-14-10-13(3)4-5-15(14)22-16;1-12(2)16(22)20-8-6-19(7-9-20)11-15(21)18-14-5-4-13(3)10-17-14;1-12(2)16(20)19-9-7-18(8-10-19)11-15-17-13-5-3-4-6-14(13)21-15/h4-6,12H,7-11H2,1-3H3;2*4-7,13H,8-12H2,1-3H3,(H,18,21);4-5,10,12H,6-9,11H2,1-3H3;4-5,10,12H,6-9,11H2,1-3H3,(H,17,18,21);3-6,12H,7-11H2,1-2H3
InChIKeyIBRMTINGKDRHKW-UHFFFAOYSA-N
MW1817.42 g/mol
LogP12.07
Rot. Bonds21

About 1-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[(5-methyl-1,3-benzothiazol-2-yl)methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[(7-methyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;N-(2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;N-(4-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide

1-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[(5-methyl-1,3-benzothiazol-2-yl)methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[(7-methyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;N-(2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;N-(4-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide (PubChem CID 158652157) has the molecular formula C100H141N19O11S and a molecular weight of 1817.42 g/mol. Its IUPAC name is 1-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[(5-methyl-1,3-benzothiazol-2-yl)methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[(7-methyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;N-(2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;N-(4-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name1-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[(5-methyl-1,3-benzothiazol-2-yl)methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[(7-methyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;N-(2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;N-(4-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide
PubChem CID158652157
Molecular FormulaC100H141N19O11S
Molecular Weight1817.42 g/mol
Exact Mass1816.08
IUPAC Name1-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[(5-methyl-1,3-benzothiazol-2-yl)methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[(7-methyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;N-(2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;N-(4-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide
SMILESCC(C)C(=O)N1CCN(Cc2nc3ccccc3o2)CC1.Cc1ccc(NC(=O)CN2CCN(C(=O)C(C)C)CC2)cc1.Cc1ccc(NC(=O)CN2CCN(C(=O)C(C)C)CC2)nc1.Cc1ccc2sc(CN3CCN(C(=O)C(C)C)CC3)nc2c1.Cc1cccc2nc(CN3CCN(C(=O)C(C)C)CC3)oc12.Cc1ccccc1NC(=O)CN1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C17H23N3O2.2C17H25N3O2.C17H23N3OS.C16H24N4O2.C16H21N3O2/c1-12(2)17(21)20-9-7-19(8-10-20)11-15-18-14-6-4-5-13(3)16(14)22-15;1-13(2)17(22)20-10-8-19(9-11-20)12-16(21)18-15-6-4-14(3)5-7-15;1-13(2)17(22)20-10-8-19(9-11-20)12-16(21)18-15-7-5-4-6-14(15)3;1-12(2)17(21)20-8-6-19(7-9-20)11-16-18-14-10-13(3)4-5-15(14)22-16;1-12(2)16(22)20-8-6-19(7-9-20)11-15(21)18-14-5-4-13(3)10-17-14;1-12(2)16(20)19-9-7-18(8-10-19)11-15-17-13-5-3-4-6-14(13)21-15/h4-6,12H,7-11H2,1-3H3;2*4-7,13H,8-12H2,1-3H3,(H,18,21);4-5,10,12H,6-9,11H2,1-3H3;4-5,10,12H,6-9,11H2,1-3H3,(H,17,18,21);3-6,12H,7-11H2,1-2H3
InChIKeyIBRMTINGKDRHKW-UHFFFAOYSA-N
XLogP12.07
TPSA306.44 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds21
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001817.42
LogP ≤ 512.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze 1-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[(5-methyl-1,3-benzothiazol-2-yl)methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[(7-methyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;N-(2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;N-(4-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide 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

1-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;1-[4-[(5-chloro-1,3-benzothiazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one;1-[4-[(7-chloro-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one;N-(5-chloro-2-pyridinyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;N-ethyl-N-(4-fluorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;2-methyl-1-[4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]piperazin-1-yl]propan-1-one
CID 161373857
2-Methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methylnaphthalene;2-methyl-1-phenylindole;bis(2-methyl-5-phenylpyrimidine);5-methyl-2-phenylpyrimidine;2-methylpyridine;3-methylpyridine;5-methyl-2-pyridin-4-ylpyrimidine;2-methylpyrimidine;1-methylpyrrolo[2,3-b]pyridine;6-methylquinoline;2-methyl-1,3,5-triazine;toluene
CID 157075084
5-[3-Benzo[g]quinolin-10-yl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-[10-[3-benzo[h]quinolin-5-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]anthracen-9-yl]-1,3-benzothiazole;2-[4-[4-phenanthren-9-yl-6-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphthalen-1-yl]-[1,3]oxazolo[4,5-b]pyridine
CID 157146699
5-bromo-N-[(E)-2-[6-methyl-1-(3-methylbutyl)pyridin-1-ium-2-yl]ethenyl]pyridin-2-amine;(2Z)-3-ethyl-2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole;(2Z)-3-ethyl-2-[(3-ethyl-1,3-benzoxazol-3-ium-2-yl)methylidene]-1,3-benzoxazole;(2Z)-3-ethyl-2-[(2E)-2-[(3-ethyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzoxazole;(2Z)-3-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazole;(2Z)-3-ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole;(2Z)-3-ethyl-2-[(E)-3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]-1,3-benzoxazole;heptaiodide
CID 157274011
2-[6-(1,3-Benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-phenyl-5-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(5-phenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 157314659
4,5-diphenyl-2-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylbenzimidazole;1-methyl-2-propan-2-ylimidazole;4-phenyl-2-propan-2-yl-1H-benzimidazole;6-phenyl-2-propan-2-yl-1H-benzimidazole;7-phenyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-phenyl-2-propan-2-yl-1H-imidazo[4,5-c]pyridine;7-phenyl-2-propan-2-yl-3H-imidazo[4,5-c]pyridine;5-phenyl-2-propan-2-yl-1H-imidazole;6-phenyl-8-propan-2-yl-7H-purine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;toluene
CID 157412447
2,5-Dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-[1,3]oxazolo[4,5-b]pyridine;2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;ethane;7-methylimidazo[1,2-a]pyridine;7-methylimidazo[1,2-a]pyrimidine;1,2,5-trimethylbenzimidazole;2,3,6-trimethylimidazo[4,5-b]pyridine
CID 157474605
N-cyclopentyl-N-methyl-5-(2-methylpropyl)pyridin-2-amine;2-cyclopentyloxy-5-(2-methylpropyl)pyridine;2-ethyl-5-(2-methylpropyl)-1,3-benzothiazole;2-ethyl-5-(2-methylpropyl)-1,3-benzoxazole;2-ethyl-6-(2-methylpropyl)imidazo[1,2-a]pyridine;2-methyl-5-(2-methylpropyl)-1,3-benzothiazole;2-methyl-6-(2-methylpropyl)imidazo[1,2-a]pyridine;5-(2-methylpropyl)-2-(oxolan-3-yloxy)pyridine;3-[5-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;5-(2-methylpropyl)-2-pyrrolidin-3-yloxypyridine
CID 157548492
bis(1,4-dimethylpiperazine);2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1H-indene;2-methyl-1H-indole;3-methylisoquinoline;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);2-methylquinoxaline
CID 157572698
4-(N-acetyl-2,6-dimethylanilino)-N-[7-(methylamino)-7-oxoheptyl]benzamide;4-(1,3-benzothiazol-2-ylamino)-N-[7-(methylamino)-7-oxoheptyl]benzamide;4-[1,3-benzoxazol-2-yl(methyl)amino]-N-[7-(methylamino)-7-oxoheptyl]benzamide;4-[1,3-benzoxazol-2-yl(methyl)amino]-N-methyl-N-[7-(methylamino)-7-oxoheptyl]benzamide;4-(2-cyano-N-methylanilino)-N-[7-(methylamino)-7-oxoheptyl]benzamide;N-[7-(methylamino)-7-oxoheptyl]-4-(N-(3-methyl-2-pyridinyl)anilino)benzamide;N-[7-(methylamino)-7-oxoheptyl]-4-(N-pyridin-2-ylanilino)benzamide;N-[7-(methylamino)-7-oxoheptyl]-4-(N-pyridin-3-ylanilino)benzamide;N-methyl-N-[7-(methylamino)-7-oxoheptyl]-4-(N-pyridin-3-ylanilino)benzamide
CID 157580332
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,3-diazaspiro[4.5]decane-2,4-dione;6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylhexan-1-one;N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide;2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfanyl]-1,3-benzothiazole;2-[3-(4-pyridin-2-ylpiperazin-1-yl)propylsulfanyl]-1,3-benzothiazole;1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3,4-dihydroquinolin-2-one
CID 157609688
1-Adamantyloxy(methyl)phosphinic acid;2-adamantyloxy(methyl)phosphinic acid;2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-1,3-benzothiazole;2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-1,3-benzoxazole;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-2-phenylethanone;2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-5-phenyl-1,3-oxazole;hexakis(2,2-dimethylpropane)
CID 157698472

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[(5-methyl-1,3-benzothiazol-2-yl)methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[(7-methyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;N-(2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;N-(4-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide?
The IUPAC name of 1-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[(5-methyl-1,3-benzothiazol-2-yl)methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[(7-methyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;N-(2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;N-(4-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide (CID 158652157) is 1-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[(5-methyl-1,3-benzothiazol-2-yl)methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[(7-methyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;N-(2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;N-(4-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 1-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[(5-methyl-1,3-benzothiazol-2-yl)methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[(7-methyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;N-(2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;N-(4-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 1-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[(5-methyl-1,3-benzothiazol-2-yl)methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[(7-methyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;N-(2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;N-(4-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide is CC(C)C(=O)N1CCN(Cc2nc3ccccc3o2)CC1.Cc1ccc(NC(=O)CN2CCN(C(=O)C(C)C)CC2)cc1.Cc1ccc(NC(=O)CN2CCN(C(=O)C(C)C)CC2)nc1.Cc1ccc2sc(CN3CCN(C(=O)C(C)C)CC3)nc2c1.Cc1cccc2nc(CN3CCN(C(=O)C(C)C)CC3)oc12.Cc1ccccc1NC(=O)CN1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 1-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[(5-methyl-1,3-benzothiazol-2-yl)methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[(7-methyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;N-(2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;N-(4-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide?
The InChIKey is IBRMTINGKDRHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2.2C17H25N3O2.C17H23N3OS.C16H24N4O2.C16H21N3O2/c1-12(2)17(21)20-9-7-19(8-10-20)11-15-18-14-6-4-5-13(3)16(14)22-15;1-13(2)17(22)20-10-8-19(9-11-20)12-16(21)18-15-6-4-14(3)5-7-15;1-13(2)17(22)20-10-8-19(9-11-20)12-16(21)18-15-7-5-4-6-14(15)3;1-12(2)17(21)20-8-6-19(7-9-20)11-16-18-14-10-13(3)4-5-15(14)22-16;1-12(2)16(22)20-8-6-19(7-9-20)11-15(21)18-14-5-4-13(3)10-17-14;1-12(2)16(20)19-9-7-18(8-10-19)11-15-17-13-5-3-4-6-14(13)21-15/h4-6,12H,7-11H2,1-3H3;2*4-7,13H,8-12H2,1-3H3,(H,18,21);4-5,10,12H,6-9,11H2,1-3H3;4-5,10,12H,6-9,11H2,1-3H3,(H,17,18,21);3-6,12H,7-11H2,1-2H3.
What are the key properties of 1-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[(5-methyl-1,3-benzothiazol-2-yl)methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[(7-methyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;N-(2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;N-(4-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide?
1-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[(5-methyl-1,3-benzothiazol-2-yl)methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[(7-methyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;N-(2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;N-(4-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide has a molecular weight of 1817.42 g/mol, XLogP of 12.07, 21 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[(5-methyl-1,3-benzothiazol-2-yl)methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[(7-methyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;N-(2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;N-(4-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide;2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 158652157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).