5-amino-2-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-chloro-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-cyclopropyl-N-[4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide;2-cyclopropyl-1,3-oxazole-4-carboxylic acid;2-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

C117H145ClN22O20 — CID 161301244

About 5-amino-2-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-chloro-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-cyclopropyl-N-[4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide;2-cyclopropyl-1,3-oxazole-4-carboxylic acid;2-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

5-amino-2-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-chloro-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-cyclopropyl-N-[4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide;2-cyclopropyl-1,3-oxazole-4-carboxylic acid;2-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (PubChem CID 161301244) has the molecular formula C117H145ClN22O20 and a molecular weight of 2215.03 g/mol. Its IUPAC name is 5-amino-2-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-chloro-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-cyclopropyl-N-[4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide;2-cyclopropyl-1,3-oxazole-4-carboxylic acid;2-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.

Molecular Properties

• Compound Name: 5-amino-2-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-chloro-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-cyclopropyl-N-[4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide;2-cyclopropyl-1,3-oxazole-4-carboxylic acid;2-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
• PubChem CID: 161301244
• Molecular Formula: C117H145ClN22O20
• Molecular Weight: 2215.03 g/mol
• Exact Mass: 2213.07
• IUPAC Name: 5-amino-2-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-chloro-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-cyclopropyl-N-[4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide;2-cyclopropyl-1,3-oxazole-4-carboxylic acid;2-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
• SMILES: COc1cc(N2CCN(c3ccccc3C)CC2)c(N)cc1C(=O)NCCCN1CCCC1=O.COc1cc(N2CCN(c3ccccc3C)CC2)c(NC(=O)c2coc(C3CC3)n2)cc1C(=O)NCCCN1CCCC1=O.COc1cc(N2CCN(c3ccccc3C)CC2)c([N+](=O)[O-])cc1C(=O)NCCCN1CCCC1=O.Cc1ccccc1N1CCN(c2cc(Cl)c(C(=O)NCCCN3CCCC3=O)cc2[N+](=O)[O-])CC1.O=C(O)c1coc(C2CC2)n1
• InChI: InChI=1S/C33H40N6O5.C26H33N5O5.C26H35N5O3.C25H30ClN5O4.C7H7NO3/c1-22-7-3-4-8-27(22)37-15-17-38(18-16-37)28-20-29(43-2)24(31(41)34-12-6-14-39-13-5-9-30(39)40)19-25(28)35-32(42)26-21-44-33(36-26)23-10-11-23;1-19-7-3-4-8-21(19)28-13-15-29(16-14-28)22-18-24(36-2)20(17-23(22)31(34)35)26(33)27-10-6-12-30-11-5-9-25(30)32;1-19-7-3-4-8-22(19)29-13-15-30(16-14-29)23-18-24(34-2)20(17-21(23)27)26(33)28-10-6-12-31-11-5-9-25(31)32;1-18-6-2-3-7-21(18)28-12-14-29(15-13-28)22-17-20(26)19(16-23(22)31(34)35)25(33)27-9-5-11-30-10-4-8-24(30)32;9-7(10)5-3-11-6(8-5)4-1-2-4/h3-4,7-8,19-21,23H,5-6,9-18H2,1-2H3,(H,34,41)(H,35,42);3-4,7-8,17-18H,5-6,9-16H2,1-2H3,(H,27,33);3-4,7-8,17-18H,5-6,9-16,27H2,1-2H3,(H,28,33);2-3,6-7,16-17H,4-5,8-15H2,1H3,(H,27,33);3-4H,1-2H2,(H,9,10)
• InChIKey: VHQNTLUAKBVNLF-UHFFFAOYSA-N
• XLogP: 14.70
• TPSA: 482.01 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 38
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2215.03
LogP ≤ 5	14.70
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-chloro-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-cyclopropyl-N-[4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide;2-cyclopropyl-1,3-oxazole-4-carboxylic acid;2-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?

The IUPAC name of 5-amino-2-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-chloro-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-cyclopropyl-N-[4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide;2-cyclopropyl-1,3-oxazole-4-carboxylic acid;2-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (CID 161301244) is 5-amino-2-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-chloro-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-cyclopropyl-N-[4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide;2-cyclopropyl-1,3-oxazole-4-carboxylic acid;2-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.

What is the SMILES notation for 5-amino-2-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-chloro-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-cyclopropyl-N-[4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide;2-cyclopropyl-1,3-oxazole-4-carboxylic acid;2-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?

The canonical SMILES for 5-amino-2-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-chloro-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-cyclopropyl-N-[4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide;2-cyclopropyl-1,3-oxazole-4-carboxylic acid;2-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is COc1cc(N2CCN(c3ccccc3C)CC2)c(N)cc1C(=O)NCCCN1CCCC1=O.COc1cc(N2CCN(c3ccccc3C)CC2)c(NC(=O)c2coc(C3CC3)n2)cc1C(=O)NCCCN1CCCC1=O.COc1cc(N2CCN(c3ccccc3C)CC2)c([N+](=O)[O-])cc1C(=O)NCCCN1CCCC1=O.Cc1ccccc1N1CCN(c2cc(Cl)c(C(=O)NCCCN3CCCC3=O)cc2[N+](=O)[O-])CC1.O=C(O)c1coc(C2CC2)n1.

What is the InChIKey of 5-amino-2-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-chloro-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-cyclopropyl-N-[4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide;2-cyclopropyl-1,3-oxazole-4-carboxylic acid;2-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?

The InChIKey is VHQNTLUAKBVNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N6O5.C26H33N5O5.C26H35N5O3.C25H30ClN5O4.C7H7NO3/c1-22-7-3-4-8-27(22)37-15-17-38(18-16-37)28-20-29(43-2)24(31(41)34-12-6-14-39-13-5-9-30(39)40)19-25(28)35-32(42)26-21-44-33(36-26)23-10-11-23;1-19-7-3-4-8-21(19)28-13-15-29(16-14-28)22-18-24(36-2)20(17-23(22)31(34)35)26(33)27-10-6-12-30-11-5-9-25(30)32;1-19-7-3-4-8-22(19)29-13-15-30(16-14-29)23-18-24(34-2)20(17-21(23)27)26(33)28-10-6-12-31-11-5-9-25(31)32;1-18-6-2-3-7-21(18)28-12-14-29(15-13-28)22-17-20(26)19(16-23(22)31(34)35)25(33)27-9-5-11-30-10-4-8-24(30)32;9-7(10)5-3-11-6(8-5)4-1-2-4/h3-4,7-8,19-21,23H,5-6,9-18H2,1-2H3,(H,34,41)(H,35,42);3-4,7-8,17-18H,5-6,9-16H2,1-2H3,(H,27,33);3-4,7-8,17-18H,5-6,9-16,27H2,1-2H3,(H,28,33);2-3,6-7,16-17H,4-5,8-15H2,1H3,(H,27,33);3-4H,1-2H2,(H,9,10).

What are the key properties of 5-amino-2-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-chloro-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-cyclopropyl-N-[4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide;2-cyclopropyl-1,3-oxazole-4-carboxylic acid;2-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?

5-amino-2-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-chloro-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-cyclopropyl-N-[4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide;2-cyclopropyl-1,3-oxazole-4-carboxylic acid;2-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide has a molecular weight of 2215.03 g/mol, XLogP of 14.70, 38 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-2-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-chloro-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide;2-cyclopropyl-N-[4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide;2-cyclopropyl-1,3-oxazole-4-carboxylic acid;2-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is sourced from PubChem (CID 161301244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).