1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(furan-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(5-methylfuran-2-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1,3-thiazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(triazol-2-yl)phenyl]ethane-1,2-dione

C142H135N19O22S — CID 157299953

IUPAC1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(furan-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(5-methylfuran-2-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1,3-thiazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(triazol-2-yl)phenyl]ethane-1,2-dione
SMILESCC1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2ccco2)cc1.CC1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2ccn(C)n2)cc1.CC1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-n2nccn2)cc1.COc1cc(C(=O)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)ccc1-c1cnco1.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2cncs2)cc1.Cc1ccc(-c2ccc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3C)cc2)o1
InChIInChI=1S/C25H24N2O4.C24H24N4O3.C24H23N3O5.C24H22N2O4.C23H21N3O3S.C22H21N5O3/c1-17-16-26(24(29)21-6-4-3-5-7-21)14-15-27(17)25(30)23(28)20-11-9-19(10-12-20)22-13-8-18(2)31-22;1-17-16-27(23(30)20-6-4-3-5-7-20)14-15-28(17)24(31)22(29)19-10-8-18(9-11-19)21-12-13-26(2)25-21;1-16-14-26(23(29)17-6-4-3-5-7-17)10-11-27(16)24(30)22(28)18-8-9-19(20(12-18)31-2)21-13-25-15-32-21;1-17-16-25(23(28)20-6-3-2-4-7-20)13-14-26(17)24(29)22(27)19-11-9-18(10-12-19)21-8-5-15-30-21;1-16-14-25(22(28)19-5-3-2-4-6-19)11-12-26(16)23(29)21(27)18-9-7-17(8-10-18)20-13-24-15-30-20;1-16-15-25(21(29)18-5-3-2-4-6-18)13-14-26(16)22(30)20(28)17-7-9-19(10-8-17)27-23-11-12-24-27/h2*3-13,17H,14-16H2,1-2H3;3-9,12-13,15-16H,10-11,14H2,1-2H3;2-12,15,17H,13-14,16H2,1H3;2-10,13,15-16H,11-12,14H2,1H3;2-12,16H,13-15H2,1H3/t;;16-;;16-;/m..1.1./s1
InChIKeyBBTYETGAWWFICZ-GQTAXEJYSA-N
MW2491.82 g/mol
LogP18.05
Rot. Bonds25

About 1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(furan-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(5-methylfuran-2-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1,3-thiazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(triazol-2-yl)phenyl]ethane-1,2-dione

1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(furan-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(5-methylfuran-2-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1,3-thiazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(triazol-2-yl)phenyl]ethane-1,2-dione (PubChem CID 157299953) has the molecular formula C142H135N19O22S and a molecular weight of 2491.82 g/mol. Its IUPAC name is 1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(furan-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(5-methylfuran-2-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1,3-thiazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(triazol-2-yl)phenyl]ethane-1,2-dione.

Molecular Properties

Compound Name1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(furan-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(5-methylfuran-2-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1,3-thiazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(triazol-2-yl)phenyl]ethane-1,2-dione
PubChem CID157299953
Molecular FormulaC142H135N19O22S
Molecular Weight2491.82 g/mol
Exact Mass2489.97
IUPAC Name1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(furan-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(5-methylfuran-2-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1,3-thiazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(triazol-2-yl)phenyl]ethane-1,2-dione
SMILESCC1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2ccco2)cc1.CC1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2ccn(C)n2)cc1.CC1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-n2nccn2)cc1.COc1cc(C(=O)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)ccc1-c1cnco1.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2cncs2)cc1.Cc1ccc(-c2ccc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3C)cc2)o1
InChIInChI=1S/C25H24N2O4.C24H24N4O3.C24H23N3O5.C24H22N2O4.C23H21N3O3S.C22H21N5O3/c1-17-16-26(24(29)21-6-4-3-5-7-21)14-15-27(17)25(30)23(28)20-11-9-19(10-12-20)22-13-8-18(2)31-22;1-17-16-27(23(30)20-6-4-3-5-7-20)14-15-28(17)24(31)22(29)19-10-8-18(9-11-19)21-12-13-26(2)25-21;1-16-14-26(23(29)17-6-4-3-5-7-17)10-11-27(16)24(30)22(28)18-8-9-19(20(12-18)31-2)21-13-25-15-32-21;1-17-16-25(23(28)20-6-3-2-4-7-20)13-14-26(17)24(29)22(27)19-11-9-18(10-12-19)21-8-5-15-30-21;1-16-14-25(22(28)19-5-3-2-4-6-19)11-12-26(16)23(29)21(27)18-9-7-17(8-10-18)20-13-24-15-30-20;1-16-15-25(21(29)18-5-3-2-4-6-18)13-14-26(16)22(30)20(28)17-7-9-19(10-8-17)27-23-11-12-24-27/h2*3-13,17H,14-16H2,1-2H3;3-9,12-13,15-16H,10-11,14H2,1-2H3;2-12,15,17H,13-14,16H2,1H3;2-10,13,15-16H,11-12,14H2,1H3;2-12,16H,13-15H2,1H3/t;;16-;;16-;/m..1.1./s1
InChIKeyBBTYETGAWWFICZ-GQTAXEJYSA-N
XLogP18.05
TPSA469.10 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds25
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002491.82
LogP ≤ 518.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(furan-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(5-methylfuran-2-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1,3-thiazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(triazol-2-yl)phenyl]ethane-1,2-dione with MolForge

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Related Compounds

2-(2,5-Dimethylphenyl)-1,3-thiazole;3-(4-fluoro-3-methylphenyl)pyridazine;2-(2-methoxy-5-methylphenyl)-1,3-oxazole;3-(2-methoxy-5-methylphenyl)pyridazine;2-(2-methoxy-5-methylphenyl)pyridine;3-(2-methoxy-5-methylphenyl)pyridine;2-(2-methoxy-5-methylphenyl)-1,3-thiazole;2-(3-methylphenyl)-1,3-oxazole;3-(3-methylphenyl)pyridazine;2-(3-methylphenyl)pyridine;3-(3-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;2-(3-methylphenyl)-1,3-thiazole
CID 157216447
2-(2,5-Dimethylphenyl)-1,3-thiazole;3-(4-fluoro-3-methylphenyl)pyridazine;2-(2-methoxy-5-methylphenyl)-1,3-oxazole;2-(2-methoxy-5-methylphenyl)pyrazine;3-(2-methoxy-5-methylphenyl)pyridazine;2-(2-methoxy-5-methylphenyl)pyridine;2-(2-methoxy-5-methylphenyl)-1,3-thiazole;2-(3-methylphenyl)-1,3-oxazole;2-(3-methylphenyl)pyrazine;3-(3-methylphenyl)pyridazine;bis(2-(3-methylphenyl)pyridine);4-(3-methylphenyl)pyridine;2-(3-methylphenyl)-1,3-thiazole
CID 157774598
1-(1-benzofuran-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzofuran-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzothiazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-benzothiophen-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1,3-benzoxazol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(7H-cyclopenta[c]pyridin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 158415527
Benzenethiolate;bis(chloropalladium(1+));2-[3-(3,5-dimethylpyrazol-1-yl)-5-pyridin-2-yloxybenzene-4-id-1-yl]-4-phenyl-1,3-oxazole;di(propan-2-yl)azanide;bis(palladium(2+));2-phenyl-5-[3-(4-phenylpyrazol-1-yl)-5-pyridin-2-yloxybenzene-4-id-1-yl]-1,3-oxazole;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-thiazole
CID 161225477
3-(2,2-Dimethylpropyl)-2,4-difluoro-6-phenylphenol;5-(2,2-dimethylpropyl)-4-fluoro-2-(5-methylfuran-2-yl)phenol;3-[4-(2,2-dimethylpropyl)phenyl]-1-ethylpyrazole;4-[4-(2,2-dimethylpropyl)phenyl]-2-ethyl-1,3-thiazole;3-[4-(2,2-dimethylpropyl)phenyl]furan;4-[4-(2,2-dimethylpropyl)phenyl]-2-methyl-1,3-thiazole;2-[4-(2,2-dimethylpropyl)phenyl]-4-methyltriazole;2-[4-(2,2-dimethylpropyl)phenyl]-1,3-oxazole
CID 161999524
Benzenethiolate;bis(chloroplatinum(1+));2-[3-(3,5-dimethylpyrazol-1-yl)-5-pyridin-2-yloxybenzene-4-id-1-yl]-4-phenyl-1,3-oxazole;di(propan-2-yl)azanide;2-phenyl-5-[3-(4-phenylpyrazol-1-yl)-5-pyridin-2-yloxybenzene-4-id-1-yl]-1,3-oxazole;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-thiazole;bis(platinum(2+))
CID 162119469

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(furan-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(5-methylfuran-2-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1,3-thiazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(triazol-2-yl)phenyl]ethane-1,2-dione?
The IUPAC name of 1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(furan-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(5-methylfuran-2-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1,3-thiazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(triazol-2-yl)phenyl]ethane-1,2-dione (CID 157299953) is 1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(furan-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(5-methylfuran-2-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1,3-thiazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(triazol-2-yl)phenyl]ethane-1,2-dione.
What is the SMILES notation for 1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(furan-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(5-methylfuran-2-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1,3-thiazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(triazol-2-yl)phenyl]ethane-1,2-dione?
The canonical SMILES for 1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(furan-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(5-methylfuran-2-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1,3-thiazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(triazol-2-yl)phenyl]ethane-1,2-dione is CC1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2ccco2)cc1.CC1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2ccn(C)n2)cc1.CC1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-n2nccn2)cc1.COc1cc(C(=O)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)ccc1-c1cnco1.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2cncs2)cc1.Cc1ccc(-c2ccc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3C)cc2)o1.
What is the InChIKey of 1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(furan-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(5-methylfuran-2-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1,3-thiazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(triazol-2-yl)phenyl]ethane-1,2-dione?
The InChIKey is BBTYETGAWWFICZ-GQTAXEJYSA-N. The full InChI is InChI=1S/C25H24N2O4.C24H24N4O3.C24H23N3O5.C24H22N2O4.C23H21N3O3S.C22H21N5O3/c1-17-16-26(24(29)21-6-4-3-5-7-21)14-15-27(17)25(30)23(28)20-11-9-19(10-12-20)22-13-8-18(2)31-22;1-17-16-27(23(30)20-6-4-3-5-7-20)14-15-28(17)24(31)22(29)19-10-8-18(9-11-19)21-12-13-26(2)25-21;1-16-14-26(23(29)17-6-4-3-5-7-17)10-11-27(16)24(30)22(28)18-8-9-19(20(12-18)31-2)21-13-25-15-32-21;1-17-16-25(23(28)20-6-3-2-4-7-20)13-14-26(17)24(29)22(27)19-11-9-18(10-12-19)21-8-5-15-30-21;1-16-14-25(22(28)19-5-3-2-4-6-19)11-12-26(16)23(29)21(27)18-9-7-17(8-10-18)20-13-24-15-30-20;1-16-15-25(21(29)18-5-3-2-4-6-18)13-14-26(16)22(30)20(28)17-7-9-19(10-8-17)27-23-11-12-24-27/h2*3-13,17H,14-16H2,1-2H3;3-9,12-13,15-16H,10-11,14H2,1-2H3;2-12,15,17H,13-14,16H2,1H3;2-10,13,15-16H,11-12,14H2,1H3;2-12,16H,13-15H2,1H3/t;;16-;;16-;/m..1.1./s1.
What are the key properties of 1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(furan-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(5-methylfuran-2-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1,3-thiazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(triazol-2-yl)phenyl]ethane-1,2-dione?
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(furan-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(5-methylfuran-2-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1,3-thiazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(triazol-2-yl)phenyl]ethane-1,2-dione has a molecular weight of 2491.82 g/mol, XLogP of 18.05, 25 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(furan-2-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(5-methylfuran-2-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(1,3-thiazol-5-yl)phenyl]ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(triazol-2-yl)phenyl]ethane-1,2-dione is sourced from PubChem (CID 157299953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).