1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-methoxy-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1-methylimidazol-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[5-(1-methylimidazol-2-yl)thiophen-2-yl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[6-(1H-pyrazol-5-yl)-3-pyridinyl]ethane-1,2-dione

C164H160ClN27O26S — CID 159007270

IUPAC1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-methoxy-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1-methylimidazol-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[5-(1-methylimidazol-2-yl)thiophen-2-yl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[6-(1H-pyrazol-5-yl)-3-pyridinyl]ethane-1,2-dione
SMILESCOc1cc(-c2ccn[nH]2)ccc1C(=O)C(=O)N1CCN(C(=O)c2ccccc2)C[C@H]1C.COc1cc(C(=O)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)ccc1-c1cc(C)no1.COc1cc(C(=O)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)ccc1-c1ccn[nH]1.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2ccn[nH]2)nc1.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2cnco2)c(Cl)c1.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2nccn2C)cc1.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2nccn2C)s1
InChIInChI=1S/C25H25N3O5.2C24H24N4O4.C24H24N4O3.C23H20ClN3O4.C22H21N5O3.C22H22N4O3S/c1-16-13-22(33-26-16)20-10-9-19(14-21(20)32-3)23(29)25(31)28-12-11-27(15-17(28)2)24(30)18-7-5-4-6-8-18;1-16-15-27(23(30)17-6-4-3-5-7-17)12-13-28(16)24(31)22(29)18-8-9-19(21(14-18)32-2)20-10-11-25-26-20;1-16-15-27(23(30)17-6-4-3-5-7-17)12-13-28(16)24(31)22(29)19-9-8-18(14-21(19)32-2)20-10-11-25-26-20;1-17-16-27(23(30)20-6-4-3-5-7-20)14-15-28(17)24(31)21(29)18-8-10-19(11-9-18)22-25-12-13-26(22)2;1-15-13-26(22(29)16-5-3-2-4-6-16)9-10-27(15)23(30)21(28)17-7-8-18(19(24)11-17)20-12-25-14-31-20;1-15-14-26(21(29)16-5-3-2-4-6-16)11-12-27(15)22(30)20(28)17-7-8-18(23-13-17)19-9-10-24-25-19;1-15-14-25(21(28)16-6-4-3-5-7-16)12-13-26(15)22(29)19(27)17-8-9-18(30-17)20-23-10-11-24(20)2/h4-10,13-14,17H,11-12,15H2,1-3H3;2*3-11,14,16H,12-13,15H2,1-2H3,(H,25,26);3-13,17H,14-16H2,1-2H3;2-8,11-12,14-15H,9-10,13H2,1H3;2-10,13,15H,11-12,14H2,1H3,(H,24,25);3-11,15H,12-14H2,1-2H3/t17-;2*16-;17-;3*15-/m1111111/s1
InChIKeyJSBQQWRKVXEDDY-XCDCRRFJSA-N
MW2992.77 g/mol
LogP19.42
Rot. Bonds31

About 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-methoxy-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1-methylimidazol-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[5-(1-methylimidazol-2-yl)thiophen-2-yl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[6-(1H-pyrazol-5-yl)-3-pyridinyl]ethane-1,2-dione

1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-methoxy-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1-methylimidazol-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[5-(1-methylimidazol-2-yl)thiophen-2-yl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[6-(1H-pyrazol-5-yl)-3-pyridinyl]ethane-1,2-dione (PubChem CID 159007270) has the molecular formula C164H160ClN27O26S and a molecular weight of 2992.77 g/mol. Its IUPAC name is 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-methoxy-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1-methylimidazol-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[5-(1-methylimidazol-2-yl)thiophen-2-yl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[6-(1H-pyrazol-5-yl)-3-pyridinyl]ethane-1,2-dione.

Molecular Properties

Compound Name1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-methoxy-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1-methylimidazol-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[5-(1-methylimidazol-2-yl)thiophen-2-yl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[6-(1H-pyrazol-5-yl)-3-pyridinyl]ethane-1,2-dione
PubChem CID159007270
Molecular FormulaC164H160ClN27O26S
Molecular Weight2992.77 g/mol
Exact Mass2990.14
IUPAC Name1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-methoxy-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1-methylimidazol-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[5-(1-methylimidazol-2-yl)thiophen-2-yl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[6-(1H-pyrazol-5-yl)-3-pyridinyl]ethane-1,2-dione
SMILESCOc1cc(-c2ccn[nH]2)ccc1C(=O)C(=O)N1CCN(C(=O)c2ccccc2)C[C@H]1C.COc1cc(C(=O)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)ccc1-c1cc(C)no1.COc1cc(C(=O)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)ccc1-c1ccn[nH]1.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2ccn[nH]2)nc1.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2cnco2)c(Cl)c1.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2nccn2C)cc1.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2nccn2C)s1
InChIInChI=1S/C25H25N3O5.2C24H24N4O4.C24H24N4O3.C23H20ClN3O4.C22H21N5O3.C22H22N4O3S/c1-16-13-22(33-26-16)20-10-9-19(14-21(20)32-3)23(29)25(31)28-12-11-27(15-17(28)2)24(30)18-7-5-4-6-8-18;1-16-15-27(23(30)17-6-4-3-5-7-17)12-13-28(16)24(31)22(29)18-8-9-19(21(14-18)32-2)20-10-11-25-26-20;1-16-15-27(23(30)17-6-4-3-5-7-17)12-13-28(16)24(31)22(29)19-9-8-18(14-21(19)32-2)20-10-11-25-26-20;1-17-16-27(23(30)20-6-4-3-5-7-20)14-15-28(17)24(31)21(29)18-8-10-19(11-9-18)22-25-12-13-26(22)2;1-15-13-26(22(29)16-5-3-2-4-6-16)9-10-27(15)23(30)21(28)17-7-8-18(19(24)11-17)20-12-25-14-31-20;1-15-14-26(21(29)16-5-3-2-4-6-16)11-12-27(15)22(30)20(28)17-7-8-18(23-13-17)19-9-10-24-25-19;1-15-14-25(21(28)16-6-4-3-5-7-16)12-13-26(15)22(29)19(27)17-8-9-18(30-17)20-23-10-11-24(20)2/h4-10,13-14,17H,11-12,15H2,1-3H3;2*3-11,14,16H,12-13,15H2,1-2H3,(H,25,26);3-13,17H,14-16H2,1-2H3;2-8,11-12,14-15H,9-10,13H2,1H3;2-10,13,15H,11-12,14H2,1H3,(H,24,25);3-11,15H,12-14H2,1-2H3/t17-;2*16-;17-;3*15-/m1111111/s1
InChIKeyJSBQQWRKVXEDDY-XCDCRRFJSA-N
XLogP19.42
TPSA618.15 Ų
H-Bond Donors3
H-Bond Acceptors37
Rotatable Bonds31
Heavy Atoms219
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002992.77
LogP ≤ 519.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-methoxy-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1-methylimidazol-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[5-(1-methylimidazol-2-yl)thiophen-2-yl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[6-(1H-pyrazol-5-yl)-3-pyridinyl]ethane-1,2-dione with MolForge

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Launch Full Analysis

Related Compounds

[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1-ethylpyrrol-3-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(1-fluoroethoxy)phenyl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 162287475
1-[2-(3-chloro-1,2-oxazol-5-yl)ethyl]piperidine-2,6-dione;1-[3-(3-chloro-1,2-oxazol-5-yl)propyl]piperidine-2,6-dione;1-(1H-imidazol-5-ylmethyl)piperidine-2,6-dione;1-[3-(3-methoxy-1,2-oxazol-5-yl)propyl]piperidine-2,6-dione;1-[2-(1,2-oxazol-3-yl)ethyl]piperidine-2,6-dione;1-[2-(1,2-oxazol-4-yl)ethyl]piperidine-2,6-dione;1-[2-(1,2-oxazol-5-yl)ethyl]piperidine-2,6-dione;1-[2-(1,3-oxazol-5-yl)ethyl]piperidine-2,6-dione;1-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]piperidine-2,6-dione;1-[2-(4-phenyl-1H-imidazol-5-yl)ethyl]piperidine-2,6-dione;1-[2-(1-phenylpyrazol-4-yl)ethyl]piperidine-2,6-dione;1-[2-(1H-pyrazol-4-yl)ethyl]piperidine-2,6-dione;1-[2-(1H-pyrrol-2-yl)ethyl]piperidine-2,6-dione;1-[2-(1,2-thiazol-3-yl)ethyl]piperidine-2,6-dione;1-[2-(1,3-thiazol-4-yl)ethyl]piperidine-2,6-dione
CID 159004016
6-chloro-2-methylimidazo[1,2-a]pyridine;4,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;1,3-dimethylpyridin-2-one;bis(1,4-dimethylpyridin-2-one);1,5-dimethylpyridin-2-one;1,6-dimethylpyridin-2-one;1-ethyl-3-methylpyridin-2-one;5-fluoro-2-methyl-1-benzofuran;2-methoxy-3-methylpyridine;3-methoxy-4-methylpyridine;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;3-methyl-2,1-benzoxazole;2-methylimidazo[1,2-a]pyridine;8-methylimidazo[1,2-a]pyridine;3-methyl-2H-indazole;4-methylpyridazine;N,N,4-trimethylpyridin-2-amine;1,3,6-trimethylpyridin-2-one;3,4,6-trimethyl-1H-pyridin-2-one
CID 160799794
6-chloro-2-methylimidazo[1,2-a]pyridine;4,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;1,3-dimethylpyridin-2-one;bis(1,4-dimethylpyridin-2-one);1,5-dimethylpyridin-2-one;1,6-dimethylpyridin-2-one;1-ethyl-3-methylpyridin-2-one;5-fluoro-2-methyl-1-benzofuran;2-methoxy-3-methylpyridine;3-methoxy-4-methylpyridine;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;3-methyl-2,1-benzoxazole;2-methylimidazo[1,2-a]pyridine;8-methylimidazo[1,2-a]pyridine;3-methyl-2H-indazole;2-methyl-1H-indol-5-ol;3-methyl-6-propan-2-yl-1H-pyridin-2-one;4-methyl-1-propan-2-ylpyridin-2-one;4-methylpyridazine;N,N,4-trimethylpyridin-2-amine;1,3,6-trimethylpyridin-2-one;3,4,6-trimethyl-1H-pyridin-2-one
CID 161275595
N-[4-[4-[2-chloro-5-[(dimethylamino)methyl]phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(4H-pyrazol-3-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-pyrazol-1-ylpropan-2-one;N-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide
CID 161292793
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1-ethylpyrrol-3-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(1-fluoroethoxy)phenyl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 162287478

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-methoxy-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1-methylimidazol-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[5-(1-methylimidazol-2-yl)thiophen-2-yl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[6-(1H-pyrazol-5-yl)-3-pyridinyl]ethane-1,2-dione?
The IUPAC name of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-methoxy-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1-methylimidazol-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[5-(1-methylimidazol-2-yl)thiophen-2-yl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[6-(1H-pyrazol-5-yl)-3-pyridinyl]ethane-1,2-dione (CID 159007270) is 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-methoxy-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1-methylimidazol-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[5-(1-methylimidazol-2-yl)thiophen-2-yl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[6-(1H-pyrazol-5-yl)-3-pyridinyl]ethane-1,2-dione.
What is the SMILES notation for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-methoxy-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1-methylimidazol-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[5-(1-methylimidazol-2-yl)thiophen-2-yl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[6-(1H-pyrazol-5-yl)-3-pyridinyl]ethane-1,2-dione?
The canonical SMILES for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-methoxy-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1-methylimidazol-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[5-(1-methylimidazol-2-yl)thiophen-2-yl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[6-(1H-pyrazol-5-yl)-3-pyridinyl]ethane-1,2-dione is COc1cc(-c2ccn[nH]2)ccc1C(=O)C(=O)N1CCN(C(=O)c2ccccc2)C[C@H]1C.COc1cc(C(=O)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)ccc1-c1cc(C)no1.COc1cc(C(=O)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)ccc1-c1ccn[nH]1.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2ccn[nH]2)nc1.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2cnco2)c(Cl)c1.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2nccn2C)cc1.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2nccn2C)s1.
What is the InChIKey of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-methoxy-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1-methylimidazol-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[5-(1-methylimidazol-2-yl)thiophen-2-yl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[6-(1H-pyrazol-5-yl)-3-pyridinyl]ethane-1,2-dione?
The InChIKey is JSBQQWRKVXEDDY-XCDCRRFJSA-N. The full InChI is InChI=1S/C25H25N3O5.2C24H24N4O4.C24H24N4O3.C23H20ClN3O4.C22H21N5O3.C22H22N4O3S/c1-16-13-22(33-26-16)20-10-9-19(14-21(20)32-3)23(29)25(31)28-12-11-27(15-17(28)2)24(30)18-7-5-4-6-8-18;1-16-15-27(23(30)17-6-4-3-5-7-17)12-13-28(16)24(31)22(29)18-8-9-19(21(14-18)32-2)20-10-11-25-26-20;1-16-15-27(23(30)17-6-4-3-5-7-17)12-13-28(16)24(31)22(29)19-9-8-18(14-21(19)32-2)20-10-11-25-26-20;1-17-16-27(23(30)20-6-4-3-5-7-20)14-15-28(17)24(31)21(29)18-8-10-19(11-9-18)22-25-12-13-26(22)2;1-15-13-26(22(29)16-5-3-2-4-6-16)9-10-27(15)23(30)21(28)17-7-8-18(19(24)11-17)20-12-25-14-31-20;1-15-14-26(21(29)16-5-3-2-4-6-16)11-12-27(15)22(30)20(28)17-7-8-18(23-13-17)19-9-10-24-25-19;1-15-14-25(21(28)16-6-4-3-5-7-16)12-13-26(15)22(29)19(27)17-8-9-18(30-17)20-23-10-11-24(20)2/h4-10,13-14,17H,11-12,15H2,1-3H3;2*3-11,14,16H,12-13,15H2,1-2H3,(H,25,26);3-13,17H,14-16H2,1-2H3;2-8,11-12,14-15H,9-10,13H2,1H3;2-10,13,15H,11-12,14H2,1H3,(H,24,25);3-11,15H,12-14H2,1-2H3/t17-;2*16-;17-;3*15-/m1111111/s1.
What are the key properties of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-methoxy-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1-methylimidazol-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[5-(1-methylimidazol-2-yl)thiophen-2-yl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[6-(1H-pyrazol-5-yl)-3-pyridinyl]ethane-1,2-dione?
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-methoxy-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1-methylimidazol-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[5-(1-methylimidazol-2-yl)thiophen-2-yl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[6-(1H-pyrazol-5-yl)-3-pyridinyl]ethane-1,2-dione has a molecular weight of 2992.77 g/mol, XLogP of 19.42, 31 rotatable bonds, 3 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-methoxy-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1-methylimidazol-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[5-(1-methylimidazol-2-yl)thiophen-2-yl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[6-(1H-pyrazol-5-yl)-3-pyridinyl]ethane-1,2-dione is sourced from PubChem (CID 159007270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).