4-[4-(azetidine-1-carbonyl)benzoyl]-1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(3,5-difluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1,5-dimethylpyrazole-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-[(E)-2-ethanimidoyl-3-hydroxybut-2-enoyl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(4-fluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(2-hydrazinylidene-3-methyliminopropanoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1-methyl-5-oxopyrrolidine-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one

C173H228F3N29O24 — CID 157121858

IUPAC4-[4-(azetidine-1-carbonyl)benzoyl]-1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(3,5-difluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1,5-dimethylpyrazole-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-[(E)-2-ethanimidoyl-3-hydroxybut-2-enoyl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(4-fluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(2-hydrazinylidene-3-methyliminopropanoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1-methyl-5-oxopyrrolidine-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one
SMILESC/N=C/C(=NN)C(=O)N1CCN(c2ccc(OCCCN3CCC[C@H]3C)cc2)C(=O)C1.C[C@@H]1CCCN1CCCOc1ccc(N2CCN(C(=O)C3CC(=O)N(C)C3)CC2=O)cc1.C[C@@H]1CCCN1CCCOc1ccc(N2CCN(C(=O)c3cc(F)cc(F)c3)CC2=O)cc1.C[C@@H]1CCCN1CCCOc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2=O)cc1.C[C@H]1CCCN1CCCOc1ccc(N2CCN(C(=O)c3ccc(C(=O)N4CCC4)cc3)CC2=O)cc1.Cc1cc(C(=O)N2CCN(c3ccc(OCCCN4CCC[C@H]4C)cc3)C(=O)C2)nn1C.[H]/N=C(C)/C(C(=O)N1CCN(c2ccc(OCCCN3CCC[C@H]3C)cc2)C(=O)C1)=C(/C)O
InChIInChI=1S/C29H36N4O4.C25H29F2N3O3.C25H30FN3O3.C24H33N5O3.2C24H34N4O4.C22H32N6O3/c1-22-5-2-14-30(22)17-4-20-37-26-12-10-25(11-13-26)33-19-18-32(21-27(33)34)29(36)24-8-6-23(7-9-24)28(35)31-15-3-16-31;1-18-4-2-9-28(18)10-3-13-33-23-7-5-22(6-8-23)30-12-11-29(17-24(30)31)25(32)19-14-20(26)16-21(27)15-19;1-19-4-2-13-27(19)14-3-17-32-23-11-9-22(10-12-23)29-16-15-28(18-24(29)30)25(31)20-5-7-21(26)8-6-20;1-18-6-4-11-27(18)12-5-15-32-21-9-7-20(8-10-21)29-14-13-28(17-23(29)30)24(31)22-16-19(2)26(3)25-22;1-18-5-3-10-26(18)11-4-14-32-21-8-6-20(7-9-21)28-13-12-27(17-23(28)30)24(31)19-15-22(29)25(2)16-19;1-17-6-4-11-26(17)12-5-15-32-21-9-7-20(8-10-21)28-14-13-27(16-22(28)30)24(31)23(18(2)25)19(3)29;1-17-5-3-10-26(17)11-4-14-31-19-8-6-18(7-9-19)28-13-12-27(16-21(28)29)22(30)20(25-23)15-24-2/h6-13,22H,2-5,14-21H2,1H3;5-8,14-16,18H,2-4,9-13,17H2,1H3;5-12,19H,2-4,13-18H2,1H3;7-10,16,18H,4-6,11-15,17H2,1-3H3;6-9,18-19H,3-5,10-17H2,1-2H3;7-10,17,25,29H,4-6,11-16H2,1-3H3;6-9,15,17H,3-5,10-14,16,23H2,1-2H3/b;;;;;23-19+,25-18+;24-15+,25-20?/t22-;18-;19-;18-;18-,19?;2*17-/m0111111/s1
InChIKeyMPVJJZXILXGYHW-BBJVYRSISA-N
MW3154.90 g/mol
LogP18.73
Rot. Bonds52

About 4-[4-(azetidine-1-carbonyl)benzoyl]-1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(3,5-difluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1,5-dimethylpyrazole-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-[(E)-2-ethanimidoyl-3-hydroxybut-2-enoyl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(4-fluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(2-hydrazinylidene-3-methyliminopropanoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1-methyl-5-oxopyrrolidine-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one

4-[4-(azetidine-1-carbonyl)benzoyl]-1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(3,5-difluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1,5-dimethylpyrazole-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-[(E)-2-ethanimidoyl-3-hydroxybut-2-enoyl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(4-fluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(2-hydrazinylidene-3-methyliminopropanoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1-methyl-5-oxopyrrolidine-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one (PubChem CID 157121858) has the molecular formula C173H228F3N29O24 and a molecular weight of 3154.90 g/mol. Its IUPAC name is 4-[4-(azetidine-1-carbonyl)benzoyl]-1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(3,5-difluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1,5-dimethylpyrazole-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-[(E)-2-ethanimidoyl-3-hydroxybut-2-enoyl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(4-fluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(2-hydrazinylidene-3-methyliminopropanoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1-methyl-5-oxopyrrolidine-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one.

Molecular Properties

Compound Name4-[4-(azetidine-1-carbonyl)benzoyl]-1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(3,5-difluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1,5-dimethylpyrazole-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-[(E)-2-ethanimidoyl-3-hydroxybut-2-enoyl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(4-fluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(2-hydrazinylidene-3-methyliminopropanoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1-methyl-5-oxopyrrolidine-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one
PubChem CID157121858
Molecular FormulaC173H228F3N29O24
Molecular Weight3154.90 g/mol
Exact Mass3152.75
IUPAC Name4-[4-(azetidine-1-carbonyl)benzoyl]-1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(3,5-difluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1,5-dimethylpyrazole-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-[(E)-2-ethanimidoyl-3-hydroxybut-2-enoyl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(4-fluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(2-hydrazinylidene-3-methyliminopropanoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1-methyl-5-oxopyrrolidine-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one
SMILESC/N=C/C(=NN)C(=O)N1CCN(c2ccc(OCCCN3CCC[C@H]3C)cc2)C(=O)C1.C[C@@H]1CCCN1CCCOc1ccc(N2CCN(C(=O)C3CC(=O)N(C)C3)CC2=O)cc1.C[C@@H]1CCCN1CCCOc1ccc(N2CCN(C(=O)c3cc(F)cc(F)c3)CC2=O)cc1.C[C@@H]1CCCN1CCCOc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2=O)cc1.C[C@H]1CCCN1CCCOc1ccc(N2CCN(C(=O)c3ccc(C(=O)N4CCC4)cc3)CC2=O)cc1.Cc1cc(C(=O)N2CCN(c3ccc(OCCCN4CCC[C@H]4C)cc3)C(=O)C2)nn1C.[H]/N=C(C)/C(C(=O)N1CCN(c2ccc(OCCCN3CCC[C@H]3C)cc2)C(=O)C1)=C(/C)O
InChIInChI=1S/C29H36N4O4.C25H29F2N3O3.C25H30FN3O3.C24H33N5O3.2C24H34N4O4.C22H32N6O3/c1-22-5-2-14-30(22)17-4-20-37-26-12-10-25(11-13-26)33-19-18-32(21-27(33)34)29(36)24-8-6-23(7-9-24)28(35)31-15-3-16-31;1-18-4-2-9-28(18)10-3-13-33-23-7-5-22(6-8-23)30-12-11-29(17-24(30)31)25(32)19-14-20(26)16-21(27)15-19;1-19-4-2-13-27(19)14-3-17-32-23-11-9-22(10-12-23)29-16-15-28(18-24(29)30)25(31)20-5-7-21(26)8-6-20;1-18-6-4-11-27(18)12-5-15-32-21-9-7-20(8-10-21)29-14-13-28(17-23(29)30)24(31)22-16-19(2)26(3)25-22;1-18-5-3-10-26(18)11-4-14-32-21-8-6-20(7-9-21)28-13-12-27(17-23(28)30)24(31)19-15-22(29)25(2)16-19;1-17-6-4-11-26(17)12-5-15-32-21-9-7-20(8-10-21)28-14-13-27(16-22(28)30)24(31)23(18(2)25)19(3)29;1-17-5-3-10-26(17)11-4-14-31-19-8-6-18(7-9-19)28-13-12-27(16-21(28)29)22(30)20(25-23)15-24-2/h6-13,22H,2-5,14-21H2,1H3;5-8,14-16,18H,2-4,9-13,17H2,1H3;5-12,19H,2-4,13-18H2,1H3;7-10,16,18H,4-6,11-15,17H2,1-3H3;6-9,18-19H,3-5,10-17H2,1-2H3;7-10,17,25,29H,4-6,11-16H2,1-3H3;6-9,15,17H,3-5,10-14,16,23H2,1-2H3/b;;;;;23-19+,25-18+;24-15+,25-20?/t22-;18-;19-;18-;18-,19?;2*17-/m0111111/s1
InChIKeyMPVJJZXILXGYHW-BBJVYRSISA-N
XLogP18.73
TPSA524.89 Ų
H-Bond Donors3
H-Bond Acceptors37
Rotatable Bonds52
Heavy Atoms229
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003154.90
LogP ≤ 518.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-[4-(azetidine-1-carbonyl)benzoyl]-1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(3,5-difluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1,5-dimethylpyrazole-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-[(E)-2-ethanimidoyl-3-hydroxybut-2-enoyl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(4-fluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(2-hydrazinylidene-3-methyliminopropanoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1-methyl-5-oxopyrrolidine-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(azetidine-1-carbonyl)benzoyl]-1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(3,5-difluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1,5-dimethylpyrazole-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-[(E)-2-ethanimidoyl-3-hydroxybut-2-enoyl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(4-fluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(2-hydrazinylidene-3-methyliminopropanoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1-methyl-5-oxopyrrolidine-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one?
The IUPAC name of 4-[4-(azetidine-1-carbonyl)benzoyl]-1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(3,5-difluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1,5-dimethylpyrazole-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-[(E)-2-ethanimidoyl-3-hydroxybut-2-enoyl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(4-fluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(2-hydrazinylidene-3-methyliminopropanoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1-methyl-5-oxopyrrolidine-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one (CID 157121858) is 4-[4-(azetidine-1-carbonyl)benzoyl]-1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(3,5-difluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1,5-dimethylpyrazole-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-[(E)-2-ethanimidoyl-3-hydroxybut-2-enoyl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(4-fluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(2-hydrazinylidene-3-methyliminopropanoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1-methyl-5-oxopyrrolidine-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one.
What is the SMILES notation for 4-[4-(azetidine-1-carbonyl)benzoyl]-1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(3,5-difluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1,5-dimethylpyrazole-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-[(E)-2-ethanimidoyl-3-hydroxybut-2-enoyl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(4-fluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(2-hydrazinylidene-3-methyliminopropanoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1-methyl-5-oxopyrrolidine-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one?
The canonical SMILES for 4-[4-(azetidine-1-carbonyl)benzoyl]-1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(3,5-difluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1,5-dimethylpyrazole-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-[(E)-2-ethanimidoyl-3-hydroxybut-2-enoyl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(4-fluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(2-hydrazinylidene-3-methyliminopropanoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1-methyl-5-oxopyrrolidine-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one is C/N=C/C(=NN)C(=O)N1CCN(c2ccc(OCCCN3CCC[C@H]3C)cc2)C(=O)C1.C[C@@H]1CCCN1CCCOc1ccc(N2CCN(C(=O)C3CC(=O)N(C)C3)CC2=O)cc1.C[C@@H]1CCCN1CCCOc1ccc(N2CCN(C(=O)c3cc(F)cc(F)c3)CC2=O)cc1.C[C@@H]1CCCN1CCCOc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2=O)cc1.C[C@H]1CCCN1CCCOc1ccc(N2CCN(C(=O)c3ccc(C(=O)N4CCC4)cc3)CC2=O)cc1.Cc1cc(C(=O)N2CCN(c3ccc(OCCCN4CCC[C@H]4C)cc3)C(=O)C2)nn1C.[H]/N=C(C)/C(C(=O)N1CCN(c2ccc(OCCCN3CCC[C@H]3C)cc2)C(=O)C1)=C(/C)O.
What is the InChIKey of 4-[4-(azetidine-1-carbonyl)benzoyl]-1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(3,5-difluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1,5-dimethylpyrazole-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-[(E)-2-ethanimidoyl-3-hydroxybut-2-enoyl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(4-fluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(2-hydrazinylidene-3-methyliminopropanoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1-methyl-5-oxopyrrolidine-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one?
The InChIKey is MPVJJZXILXGYHW-BBJVYRSISA-N. The full InChI is InChI=1S/C29H36N4O4.C25H29F2N3O3.C25H30FN3O3.C24H33N5O3.2C24H34N4O4.C22H32N6O3/c1-22-5-2-14-30(22)17-4-20-37-26-12-10-25(11-13-26)33-19-18-32(21-27(33)34)29(36)24-8-6-23(7-9-24)28(35)31-15-3-16-31;1-18-4-2-9-28(18)10-3-13-33-23-7-5-22(6-8-23)30-12-11-29(17-24(30)31)25(32)19-14-20(26)16-21(27)15-19;1-19-4-2-13-27(19)14-3-17-32-23-11-9-22(10-12-23)29-16-15-28(18-24(29)30)25(31)20-5-7-21(26)8-6-20;1-18-6-4-11-27(18)12-5-15-32-21-9-7-20(8-10-21)29-14-13-28(17-23(29)30)24(31)22-16-19(2)26(3)25-22;1-18-5-3-10-26(18)11-4-14-32-21-8-6-20(7-9-21)28-13-12-27(17-23(28)30)24(31)19-15-22(29)25(2)16-19;1-17-6-4-11-26(17)12-5-15-32-21-9-7-20(8-10-21)28-14-13-27(16-22(28)30)24(31)23(18(2)25)19(3)29;1-17-5-3-10-26(17)11-4-14-31-19-8-6-18(7-9-19)28-13-12-27(16-21(28)29)22(30)20(25-23)15-24-2/h6-13,22H,2-5,14-21H2,1H3;5-8,14-16,18H,2-4,9-13,17H2,1H3;5-12,19H,2-4,13-18H2,1H3;7-10,16,18H,4-6,11-15,17H2,1-3H3;6-9,18-19H,3-5,10-17H2,1-2H3;7-10,17,25,29H,4-6,11-16H2,1-3H3;6-9,15,17H,3-5,10-14,16,23H2,1-2H3/b;;;;;23-19+,25-18+;24-15+,25-20?/t22-;18-;19-;18-;18-,19?;2*17-/m0111111/s1.
What are the key properties of 4-[4-(azetidine-1-carbonyl)benzoyl]-1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(3,5-difluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1,5-dimethylpyrazole-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-[(E)-2-ethanimidoyl-3-hydroxybut-2-enoyl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(4-fluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(2-hydrazinylidene-3-methyliminopropanoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1-methyl-5-oxopyrrolidine-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one?
4-[4-(azetidine-1-carbonyl)benzoyl]-1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(3,5-difluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1,5-dimethylpyrazole-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-[(E)-2-ethanimidoyl-3-hydroxybut-2-enoyl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(4-fluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(2-hydrazinylidene-3-methyliminopropanoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1-methyl-5-oxopyrrolidine-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one has a molecular weight of 3154.90 g/mol, XLogP of 18.73, 52 rotatable bonds, 3 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(azetidine-1-carbonyl)benzoyl]-1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(3,5-difluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1,5-dimethylpyrazole-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-[(E)-2-ethanimidoyl-3-hydroxybut-2-enoyl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(4-fluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(2-hydrazinylidene-3-methyliminopropanoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;4-(1-methyl-5-oxopyrrolidine-3-carbonyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one is sourced from PubChem (CID 157121858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).