1-(3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;1-(1,3-benzothiazol-2-yl)-3-piperidin-1-ylpropan-1-one;1-(1H-indazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(3H-indol-5-yl)-3-piperidin-1-ylpropan-1-one;5-methoxy-1-phenyl-7-(3-piperidin-1-ylpropanoyl)-3,4-dihydroquinazolin-2-one;8-methoxy-6-(3-piperidin-1-ylpropanoyl)-4H-chromen-3-one;3-piperidin-1-yl-1-[6-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]naphthalen-2-yl]propan-1-one

C138H167N19O14S3 — CID 158138486

IUPAC1-(3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;1-(1,3-benzothiazol-2-yl)-3-piperidin-1-ylpropan-1-one;1-(1H-indazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(3H-indol-5-yl)-3-piperidin-1-ylpropan-1-one;5-methoxy-1-phenyl-7-(3-piperidin-1-ylpropanoyl)-3,4-dihydroquinazolin-2-one;8-methoxy-6-(3-piperidin-1-ylpropanoyl)-4H-chromen-3-one;3-piperidin-1-yl-1-[6-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]naphthalen-2-yl]propan-1-one
SMILESCOc1cc(C(=O)CCN2CCCCC2)cc2c1CNC(=O)N2c1ccccc1.COc1cc(C(=O)CCN2CCCCC2)cc2c1OCC(=O)C2.O=C(CCN1CCCCC1)c1ccc2[nH]ncc2c1.O=C(CCN1CCCCC1)c1ccc2c(c1)CC=N2.O=C(CCN1CCCCC1)c1ccc2cc(Nc3n[nH]c(=S)s3)ccc2c1.O=C(CCN1CCCCC1)c1ccc2nc[nH]c2c1.O=C(CCN1CCCCC1)c1coc2ccccc12.O=C(CCN1CCCCC1)c1nc2ccccc2s1
InChIInChI=1S/C23H27N3O3.C20H22N4OS2.C18H23NO4.C16H20N2O.C16H19NO2.2C15H19N3O.C15H18N2OS/c1-29-22-15-17(21(27)10-13-25-11-6-3-7-12-25)14-20-19(22)16-24-23(28)26(20)18-8-4-2-5-9-18;25-18(8-11-24-9-2-1-3-10-24)16-5-4-15-13-17(7-6-14(15)12-16)21-19-22-23-20(26)27-19;1-22-17-11-13(9-14-10-15(20)12-23-18(14)17)16(21)5-8-19-6-3-2-4-7-19;19-16(7-11-18-9-2-1-3-10-18)14-4-5-15-13(12-14)6-8-17-15;18-15(8-11-17-9-4-1-5-10-17)14-12-19-16-7-3-2-6-13(14)16;19-15(6-9-18-7-2-1-3-8-18)12-4-5-14-13(10-12)11-16-17-14;19-15(6-9-18-7-2-1-3-8-18)12-4-5-13-14(10-12)17-11-16-13;18-13(8-11-17-9-4-1-5-10-17)15-16-12-6-2-3-7-14(12)19-15/h2,4-5,8-9,14-15H,3,6-7,10-13,16H2,1H3,(H,24,28);4-7,12-13H,1-3,8-11H2,(H,21,22)(H,23,26);9,11H,2-8,10,12H2,1H3;4-5,8,12H,1-3,6-7,9-11H2;2-3,6-7,12H,1,4-5,8-11H2;2*4-5,10-11H,1-3,6-9H2,(H,16,17);2-3,6-7H,1,4-5,8-11H2
InChIKeyFTQMZMMLJRNDFC-UHFFFAOYSA-N
MW2412.17 g/mol
LogP26.62
Rot. Bonds37

About 1-(3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;1-(1,3-benzothiazol-2-yl)-3-piperidin-1-ylpropan-1-one;1-(1H-indazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(3H-indol-5-yl)-3-piperidin-1-ylpropan-1-one;5-methoxy-1-phenyl-7-(3-piperidin-1-ylpropanoyl)-3,4-dihydroquinazolin-2-one;8-methoxy-6-(3-piperidin-1-ylpropanoyl)-4H-chromen-3-one;3-piperidin-1-yl-1-[6-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]naphthalen-2-yl]propan-1-one

1-(3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;1-(1,3-benzothiazol-2-yl)-3-piperidin-1-ylpropan-1-one;1-(1H-indazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(3H-indol-5-yl)-3-piperidin-1-ylpropan-1-one;5-methoxy-1-phenyl-7-(3-piperidin-1-ylpropanoyl)-3,4-dihydroquinazolin-2-one;8-methoxy-6-(3-piperidin-1-ylpropanoyl)-4H-chromen-3-one;3-piperidin-1-yl-1-[6-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]naphthalen-2-yl]propan-1-one (PubChem CID 158138486) has the molecular formula C138H167N19O14S3 and a molecular weight of 2412.17 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;1-(1,3-benzothiazol-2-yl)-3-piperidin-1-ylpropan-1-one;1-(1H-indazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(3H-indol-5-yl)-3-piperidin-1-ylpropan-1-one;5-methoxy-1-phenyl-7-(3-piperidin-1-ylpropanoyl)-3,4-dihydroquinazolin-2-one;8-methoxy-6-(3-piperidin-1-ylpropanoyl)-4H-chromen-3-one;3-piperidin-1-yl-1-[6-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]naphthalen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;1-(1,3-benzothiazol-2-yl)-3-piperidin-1-ylpropan-1-one;1-(1H-indazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(3H-indol-5-yl)-3-piperidin-1-ylpropan-1-one;5-methoxy-1-phenyl-7-(3-piperidin-1-ylpropanoyl)-3,4-dihydroquinazolin-2-one;8-methoxy-6-(3-piperidin-1-ylpropanoyl)-4H-chromen-3-one;3-piperidin-1-yl-1-[6-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]naphthalen-2-yl]propan-1-one
PubChem CID158138486
Molecular FormulaC138H167N19O14S3
Molecular Weight2412.17 g/mol
Exact Mass2410.21
IUPAC Name1-(3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;1-(1,3-benzothiazol-2-yl)-3-piperidin-1-ylpropan-1-one;1-(1H-indazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(3H-indol-5-yl)-3-piperidin-1-ylpropan-1-one;5-methoxy-1-phenyl-7-(3-piperidin-1-ylpropanoyl)-3,4-dihydroquinazolin-2-one;8-methoxy-6-(3-piperidin-1-ylpropanoyl)-4H-chromen-3-one;3-piperidin-1-yl-1-[6-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]naphthalen-2-yl]propan-1-one
SMILESCOc1cc(C(=O)CCN2CCCCC2)cc2c1CNC(=O)N2c1ccccc1.COc1cc(C(=O)CCN2CCCCC2)cc2c1OCC(=O)C2.O=C(CCN1CCCCC1)c1ccc2[nH]ncc2c1.O=C(CCN1CCCCC1)c1ccc2c(c1)CC=N2.O=C(CCN1CCCCC1)c1ccc2cc(Nc3n[nH]c(=S)s3)ccc2c1.O=C(CCN1CCCCC1)c1ccc2nc[nH]c2c1.O=C(CCN1CCCCC1)c1coc2ccccc12.O=C(CCN1CCCCC1)c1nc2ccccc2s1
InChIInChI=1S/C23H27N3O3.C20H22N4OS2.C18H23NO4.C16H20N2O.C16H19NO2.2C15H19N3O.C15H18N2OS/c1-29-22-15-17(21(27)10-13-25-11-6-3-7-12-25)14-20-19(22)16-24-23(28)26(20)18-8-4-2-5-9-18;25-18(8-11-24-9-2-1-3-10-24)16-5-4-15-13-17(7-6-14(15)12-16)21-19-22-23-20(26)27-19;1-22-17-11-13(9-14-10-15(20)12-23-18(14)17)16(21)5-8-19-6-3-2-4-7-19;19-16(7-11-18-9-2-1-3-10-18)14-4-5-15-13(12-14)6-8-17-15;18-15(8-11-17-9-4-1-5-10-17)14-12-19-16-7-3-2-6-13(14)16;19-15(6-9-18-7-2-1-3-8-18)12-4-5-14-13(10-12)11-16-17-14;19-15(6-9-18-7-2-1-3-8-18)12-4-5-13-14(10-12)17-11-16-13;18-13(8-11-17-9-4-1-5-10-17)15-16-12-6-2-3-7-14(12)19-15/h2,4-5,8-9,14-15H,3,6-7,10-13,16H2,1H3,(H,24,28);4-7,12-13H,1-3,8-11H2,(H,21,22)(H,23,26);9,11H,2-8,10,12H2,1H3;4-5,8,12H,1-3,6-7,9-11H2;2-3,6-7,12H,1,4-5,8-11H2;2*4-5,10-11H,1-3,6-9H2,(H,16,17);2-3,6-7H,1,4-5,8-11H2
InChIKeyFTQMZMMLJRNDFC-UHFFFAOYSA-N
XLogP26.62
TPSA376.04 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds37
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002412.17
LogP ≤ 526.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze 1-(3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;1-(1,3-benzothiazol-2-yl)-3-piperidin-1-ylpropan-1-one;1-(1H-indazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(3H-indol-5-yl)-3-piperidin-1-ylpropan-1-one;5-methoxy-1-phenyl-7-(3-piperidin-1-ylpropanoyl)-3,4-dihydroquinazolin-2-one;8-methoxy-6-(3-piperidin-1-ylpropanoyl)-4H-chromen-3-one;3-piperidin-1-yl-1-[6-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]naphthalen-2-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

CID 157135005
CID 157135005
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(furan-2-yl)-4-(1H-indol-5-yl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyrimidin-4-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyrimidin-5-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-thiophen-2-ylbutane-1,4-dione
CID 157211296
1-(3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;1-(1,3-benzothiazol-2-yl)-3-piperidin-1-ylpropan-1-one;1-(1,3-benzoxazol-2-yl)-3-piperidin-1-ylpropan-1-one;8-methoxy-6-(3-piperidin-1-ylpropanoyl)-4H-chromen-3-one;3-piperidin-1-yl-1-(1-propan-2-ylbenzo[e]benzimidazol-7-yl)propan-1-one;3-piperidin-1-yl-1-[6-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]naphthalen-2-yl]propan-1-one
CID 157717690
CID 159141819
CID 159141819
(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(1-methylindol-3-yl)pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 159351827
6-tert-butyl-1H-benzimidazole;6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;1-tert-butylindole;5-tert-butyl-3H-indole;6-tert-butyl-8-methoxy-4H-chromen-3-one;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one;6-tert-butylnaphthalene-2-carboxamide;5-[(7-tert-butylnaphthalen-2-yl)methyl]-3H-1,3,4-thiadiazole-2-thione;methane
CID 159723007
CID 159868897
CID 159868897
6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-benzo[f]isoindole-1-carboxamide;3-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;2-tert-butyl-1H-indene;5-tert-butyl-3H-indole;6-tert-butyl-8-methoxy-4H-chromen-3-one;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one;7-tert-butyl-1-methylbenzo[e]benzimidazole;7-tert-butyl-1-propan-2-ylbenzo[e]benzimidazole
CID 160793691
CID 161322364
CID 161322364
bis(6-tert-butyl-1H-benzimidazole);6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;1-tert-butylindole;5-tert-butyl-3H-indole;6-tert-butyl-8-methoxy-4H-chromen-3-one;7-tert-butyl-5-methoxy-1-phenyl-3,4-dihydroquinazolin-2-one;5-[(7-tert-butylnaphthalen-2-yl)methyl]-3H-1,3,4-thiadiazole-2-thione;methane
CID 161442201
1-(3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;1-(1,3-benzothiazol-2-yl)-3-piperidin-1-ylpropan-1-one;1-(1H-indazol-5-yl)-3-piperidin-1-ylpropan-1-one;5-methoxy-1-phenyl-7-(3-piperidin-1-ylpropanoyl)-3,4-dihydroquinazolin-2-one;8-methoxy-6-(3-piperidin-1-ylpropanoyl)-4H-chromen-3-one;3-piperidin-1-yl-1-(1-propan-2-ylbenzo[e]benzimidazol-7-yl)propan-1-one;3-piperidin-1-yl-1-[6-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]naphthalen-2-yl]propan-1-one
CID 161873325
1,2-di(propan-2-yl)benzene;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1,3-benzodioxole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-indole;2,3-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)pyridine;6,7-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoxaline;6,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline
CID 165089364

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;1-(1,3-benzothiazol-2-yl)-3-piperidin-1-ylpropan-1-one;1-(1H-indazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(3H-indol-5-yl)-3-piperidin-1-ylpropan-1-one;5-methoxy-1-phenyl-7-(3-piperidin-1-ylpropanoyl)-3,4-dihydroquinazolin-2-one;8-methoxy-6-(3-piperidin-1-ylpropanoyl)-4H-chromen-3-one;3-piperidin-1-yl-1-[6-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]naphthalen-2-yl]propan-1-one?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;1-(1,3-benzothiazol-2-yl)-3-piperidin-1-ylpropan-1-one;1-(1H-indazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(3H-indol-5-yl)-3-piperidin-1-ylpropan-1-one;5-methoxy-1-phenyl-7-(3-piperidin-1-ylpropanoyl)-3,4-dihydroquinazolin-2-one;8-methoxy-6-(3-piperidin-1-ylpropanoyl)-4H-chromen-3-one;3-piperidin-1-yl-1-[6-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]naphthalen-2-yl]propan-1-one (CID 158138486) is 1-(3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;1-(1,3-benzothiazol-2-yl)-3-piperidin-1-ylpropan-1-one;1-(1H-indazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(3H-indol-5-yl)-3-piperidin-1-ylpropan-1-one;5-methoxy-1-phenyl-7-(3-piperidin-1-ylpropanoyl)-3,4-dihydroquinazolin-2-one;8-methoxy-6-(3-piperidin-1-ylpropanoyl)-4H-chromen-3-one;3-piperidin-1-yl-1-[6-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]naphthalen-2-yl]propan-1-one.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;1-(1,3-benzothiazol-2-yl)-3-piperidin-1-ylpropan-1-one;1-(1H-indazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(3H-indol-5-yl)-3-piperidin-1-ylpropan-1-one;5-methoxy-1-phenyl-7-(3-piperidin-1-ylpropanoyl)-3,4-dihydroquinazolin-2-one;8-methoxy-6-(3-piperidin-1-ylpropanoyl)-4H-chromen-3-one;3-piperidin-1-yl-1-[6-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]naphthalen-2-yl]propan-1-one?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;1-(1,3-benzothiazol-2-yl)-3-piperidin-1-ylpropan-1-one;1-(1H-indazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(3H-indol-5-yl)-3-piperidin-1-ylpropan-1-one;5-methoxy-1-phenyl-7-(3-piperidin-1-ylpropanoyl)-3,4-dihydroquinazolin-2-one;8-methoxy-6-(3-piperidin-1-ylpropanoyl)-4H-chromen-3-one;3-piperidin-1-yl-1-[6-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]naphthalen-2-yl]propan-1-one is COc1cc(C(=O)CCN2CCCCC2)cc2c1CNC(=O)N2c1ccccc1.COc1cc(C(=O)CCN2CCCCC2)cc2c1OCC(=O)C2.O=C(CCN1CCCCC1)c1ccc2[nH]ncc2c1.O=C(CCN1CCCCC1)c1ccc2c(c1)CC=N2.O=C(CCN1CCCCC1)c1ccc2cc(Nc3n[nH]c(=S)s3)ccc2c1.O=C(CCN1CCCCC1)c1ccc2nc[nH]c2c1.O=C(CCN1CCCCC1)c1coc2ccccc12.O=C(CCN1CCCCC1)c1nc2ccccc2s1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;1-(1,3-benzothiazol-2-yl)-3-piperidin-1-ylpropan-1-one;1-(1H-indazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(3H-indol-5-yl)-3-piperidin-1-ylpropan-1-one;5-methoxy-1-phenyl-7-(3-piperidin-1-ylpropanoyl)-3,4-dihydroquinazolin-2-one;8-methoxy-6-(3-piperidin-1-ylpropanoyl)-4H-chromen-3-one;3-piperidin-1-yl-1-[6-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]naphthalen-2-yl]propan-1-one?
The InChIKey is FTQMZMMLJRNDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3.C20H22N4OS2.C18H23NO4.C16H20N2O.C16H19NO2.2C15H19N3O.C15H18N2OS/c1-29-22-15-17(21(27)10-13-25-11-6-3-7-12-25)14-20-19(22)16-24-23(28)26(20)18-8-4-2-5-9-18;25-18(8-11-24-9-2-1-3-10-24)16-5-4-15-13-17(7-6-14(15)12-16)21-19-22-23-20(26)27-19;1-22-17-11-13(9-14-10-15(20)12-23-18(14)17)16(21)5-8-19-6-3-2-4-7-19;19-16(7-11-18-9-2-1-3-10-18)14-4-5-15-13(12-14)6-8-17-15;18-15(8-11-17-9-4-1-5-10-17)14-12-19-16-7-3-2-6-13(14)16;19-15(6-9-18-7-2-1-3-8-18)12-4-5-14-13(10-12)11-16-17-14;19-15(6-9-18-7-2-1-3-8-18)12-4-5-13-14(10-12)17-11-16-13;18-13(8-11-17-9-4-1-5-10-17)15-16-12-6-2-3-7-14(12)19-15/h2,4-5,8-9,14-15H,3,6-7,10-13,16H2,1H3,(H,24,28);4-7,12-13H,1-3,8-11H2,(H,21,22)(H,23,26);9,11H,2-8,10,12H2,1H3;4-5,8,12H,1-3,6-7,9-11H2;2-3,6-7,12H,1,4-5,8-11H2;2*4-5,10-11H,1-3,6-9H2,(H,16,17);2-3,6-7H,1,4-5,8-11H2.
What are the key properties of 1-(3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;1-(1,3-benzothiazol-2-yl)-3-piperidin-1-ylpropan-1-one;1-(1H-indazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(3H-indol-5-yl)-3-piperidin-1-ylpropan-1-one;5-methoxy-1-phenyl-7-(3-piperidin-1-ylpropanoyl)-3,4-dihydroquinazolin-2-one;8-methoxy-6-(3-piperidin-1-ylpropanoyl)-4H-chromen-3-one;3-piperidin-1-yl-1-[6-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]naphthalen-2-yl]propan-1-one?
1-(3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;1-(1,3-benzothiazol-2-yl)-3-piperidin-1-ylpropan-1-one;1-(1H-indazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(3H-indol-5-yl)-3-piperidin-1-ylpropan-1-one;5-methoxy-1-phenyl-7-(3-piperidin-1-ylpropanoyl)-3,4-dihydroquinazolin-2-one;8-methoxy-6-(3-piperidin-1-ylpropanoyl)-4H-chromen-3-one;3-piperidin-1-yl-1-[6-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]naphthalen-2-yl]propan-1-one has a molecular weight of 2412.17 g/mol, XLogP of 26.62, 37 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;1-(1,3-benzothiazol-2-yl)-3-piperidin-1-ylpropan-1-one;1-(1H-indazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(3H-indol-5-yl)-3-piperidin-1-ylpropan-1-one;5-methoxy-1-phenyl-7-(3-piperidin-1-ylpropanoyl)-3,4-dihydroquinazolin-2-one;8-methoxy-6-(3-piperidin-1-ylpropanoyl)-4H-chromen-3-one;3-piperidin-1-yl-1-[6-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]naphthalen-2-yl]propan-1-one is sourced from PubChem (CID 158138486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).