3-benzyl-1-(3-imidazol-1-ylpropyl)-6-(2-phenylethyl)piperazine-2,5-dione;6-(2,2-dimethylpropyl)-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione;1-(3-imidazol-1-ylpropyl)-3,4-dimethyl-6-(2-phenylethyl)piperazine-2,5-dione;methyl 5-[5-benzyl-3,6-dioxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazin-2-yl]pentanoate;3-methyl-1-(2-methylpropyl)-6-pyridin-2-ylpiperazine-2,5-dione

C100H130N16O14 — CID 160876931

About 3-benzyl-1-(3-imidazol-1-ylpropyl)-6-(2-phenylethyl)piperazine-2,5-dione;6-(2,2-dimethylpropyl)-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione;1-(3-imidazol-1-ylpropyl)-3,4-dimethyl-6-(2-phenylethyl)piperazine-2,5-dione;methyl 5-[5-benzyl-3,6-dioxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazin-2-yl]pentanoate;3-methyl-1-(2-methylpropyl)-6-pyridin-2-ylpiperazine-2,5-dione

3-benzyl-1-(3-imidazol-1-ylpropyl)-6-(2-phenylethyl)piperazine-2,5-dione;6-(2,2-dimethylpropyl)-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione;1-(3-imidazol-1-ylpropyl)-3,4-dimethyl-6-(2-phenylethyl)piperazine-2,5-dione;methyl 5-[5-benzyl-3,6-dioxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazin-2-yl]pentanoate;3-methyl-1-(2-methylpropyl)-6-pyridin-2-ylpiperazine-2,5-dione (PubChem CID 160876931) has the molecular formula C100H130N16O14 and a molecular weight of 1780.24 g/mol. Its IUPAC name is 3-benzyl-1-(3-imidazol-1-ylpropyl)-6-(2-phenylethyl)piperazine-2,5-dione;6-(2,2-dimethylpropyl)-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione;1-(3-imidazol-1-ylpropyl)-3,4-dimethyl-6-(2-phenylethyl)piperazine-2,5-dione;methyl 5-[5-benzyl-3,6-dioxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazin-2-yl]pentanoate;3-methyl-1-(2-methylpropyl)-6-pyridin-2-ylpiperazine-2,5-dione.

Molecular Properties

• Compound Name: 3-benzyl-1-(3-imidazol-1-ylpropyl)-6-(2-phenylethyl)piperazine-2,5-dione;6-(2,2-dimethylpropyl)-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione;1-(3-imidazol-1-ylpropyl)-3,4-dimethyl-6-(2-phenylethyl)piperazine-2,5-dione;methyl 5-[5-benzyl-3,6-dioxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazin-2-yl]pentanoate;3-methyl-1-(2-methylpropyl)-6-pyridin-2-ylpiperazine-2,5-dione
• PubChem CID: 160876931
• Molecular Formula: C100H130N16O14
• Molecular Weight: 1780.24 g/mol
• Exact Mass: 1779.00
• IUPAC Name: 3-benzyl-1-(3-imidazol-1-ylpropyl)-6-(2-phenylethyl)piperazine-2,5-dione;6-(2,2-dimethylpropyl)-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione;1-(3-imidazol-1-ylpropyl)-3,4-dimethyl-6-(2-phenylethyl)piperazine-2,5-dione;methyl 5-[5-benzyl-3,6-dioxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazin-2-yl]pentanoate;3-methyl-1-(2-methylpropyl)-6-pyridin-2-ylpiperazine-2,5-dione
• SMILES: CC(C)CN1C(=O)C(C)NC(=O)C1c1ccccn1.CC1C(=O)N(CCCn2ccnc2)C(CCc2ccccc2)C(=O)N1C.COC(=O)CCCCC1C(=O)NC(Cc2ccccc2)C(=O)N1CCCN1CCCC1=O.COc1cccc(CN2C(=O)CNC(=O)C2CC(C)(C)C)c1.O=C1NC(Cc2ccccc2)C(=O)N(CCCn2ccnc2)C1CCc1ccccc1
• InChI: InChI=1S/C25H28N4O2.C24H33N3O5.C20H26N4O2.C17H24N2O3.C14H19N3O2/c30-24-23(13-12-20-8-3-1-4-9-20)29(16-7-15-28-17-14-26-19-28)25(31)22(27-24)18-21-10-5-2-6-11-21;1-32-22(29)13-6-5-11-20-23(30)25-19(17-18-9-3-2-4-10-18)24(31)27(20)16-8-15-26-14-7-12-21(26)28;1-16-19(25)24(13-6-12-23-14-11-21-15-23)18(20(26)22(16)2)10-9-17-7-4-3-5-8-17;1-17(2,3)9-14-16(21)18-10-15(20)19(14)11-12-6-5-7-13(8-12)22-4;1-9(2)8-17-12(11-6-4-5-7-15-11)13(18)16-10(3)14(17)19/h1-6,8-11,14,17,19,22-23H,7,12-13,15-16,18H2,(H,27,30);2-4,9-10,19-20H,5-8,11-17H2,1H3,(H,25,30);3-5,7-8,11,14-16,18H,6,9-10,12-13H2,1-2H3;5-8,14H,9-11H2,1-4H3,(H,18,21);4-7,9-10,12H,8H2,1-3H3,(H,16,18)
• InChIKey: SMNBOEXQJOVZTB-UHFFFAOYSA-N
• XLogP: 9.56
• TPSA: 342.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 34
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1780.24
LogP ≤ 5	9.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(3-imidazol-1-ylpropyl)-6-(2-phenylethyl)piperazine-2,5-dione;6-(2,2-dimethylpropyl)-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione;1-(3-imidazol-1-ylpropyl)-3,4-dimethyl-6-(2-phenylethyl)piperazine-2,5-dione;methyl 5-[5-benzyl-3,6-dioxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazin-2-yl]pentanoate;3-methyl-1-(2-methylpropyl)-6-pyridin-2-ylpiperazine-2,5-dione?

The IUPAC name of 3-benzyl-1-(3-imidazol-1-ylpropyl)-6-(2-phenylethyl)piperazine-2,5-dione;6-(2,2-dimethylpropyl)-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione;1-(3-imidazol-1-ylpropyl)-3,4-dimethyl-6-(2-phenylethyl)piperazine-2,5-dione;methyl 5-[5-benzyl-3,6-dioxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazin-2-yl]pentanoate;3-methyl-1-(2-methylpropyl)-6-pyridin-2-ylpiperazine-2,5-dione (CID 160876931) is 3-benzyl-1-(3-imidazol-1-ylpropyl)-6-(2-phenylethyl)piperazine-2,5-dione;6-(2,2-dimethylpropyl)-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione;1-(3-imidazol-1-ylpropyl)-3,4-dimethyl-6-(2-phenylethyl)piperazine-2,5-dione;methyl 5-[5-benzyl-3,6-dioxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazin-2-yl]pentanoate;3-methyl-1-(2-methylpropyl)-6-pyridin-2-ylpiperazine-2,5-dione.

What is the SMILES notation for 3-benzyl-1-(3-imidazol-1-ylpropyl)-6-(2-phenylethyl)piperazine-2,5-dione;6-(2,2-dimethylpropyl)-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione;1-(3-imidazol-1-ylpropyl)-3,4-dimethyl-6-(2-phenylethyl)piperazine-2,5-dione;methyl 5-[5-benzyl-3,6-dioxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazin-2-yl]pentanoate;3-methyl-1-(2-methylpropyl)-6-pyridin-2-ylpiperazine-2,5-dione?

The canonical SMILES for 3-benzyl-1-(3-imidazol-1-ylpropyl)-6-(2-phenylethyl)piperazine-2,5-dione;6-(2,2-dimethylpropyl)-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione;1-(3-imidazol-1-ylpropyl)-3,4-dimethyl-6-(2-phenylethyl)piperazine-2,5-dione;methyl 5-[5-benzyl-3,6-dioxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazin-2-yl]pentanoate;3-methyl-1-(2-methylpropyl)-6-pyridin-2-ylpiperazine-2,5-dione is CC(C)CN1C(=O)C(C)NC(=O)C1c1ccccn1.CC1C(=O)N(CCCn2ccnc2)C(CCc2ccccc2)C(=O)N1C.COC(=O)CCCCC1C(=O)NC(Cc2ccccc2)C(=O)N1CCCN1CCCC1=O.COc1cccc(CN2C(=O)CNC(=O)C2CC(C)(C)C)c1.O=C1NC(Cc2ccccc2)C(=O)N(CCCn2ccnc2)C1CCc1ccccc1.

What is the InChIKey of 3-benzyl-1-(3-imidazol-1-ylpropyl)-6-(2-phenylethyl)piperazine-2,5-dione;6-(2,2-dimethylpropyl)-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione;1-(3-imidazol-1-ylpropyl)-3,4-dimethyl-6-(2-phenylethyl)piperazine-2,5-dione;methyl 5-[5-benzyl-3,6-dioxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazin-2-yl]pentanoate;3-methyl-1-(2-methylpropyl)-6-pyridin-2-ylpiperazine-2,5-dione?

The InChIKey is SMNBOEXQJOVZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2.C24H33N3O5.C20H26N4O2.C17H24N2O3.C14H19N3O2/c30-24-23(13-12-20-8-3-1-4-9-20)29(16-7-15-28-17-14-26-19-28)25(31)22(27-24)18-21-10-5-2-6-11-21;1-32-22(29)13-6-5-11-20-23(30)25-19(17-18-9-3-2-4-10-18)24(31)27(20)16-8-15-26-14-7-12-21(26)28;1-16-19(25)24(13-6-12-23-14-11-21-15-23)18(20(26)22(16)2)10-9-17-7-4-3-5-8-17;1-17(2,3)9-14-16(21)18-10-15(20)19(14)11-12-6-5-7-13(8-12)22-4;1-9(2)8-17-12(11-6-4-5-7-15-11)13(18)16-10(3)14(17)19/h1-6,8-11,14,17,19,22-23H,7,12-13,15-16,18H2,(H,27,30);2-4,9-10,19-20H,5-8,11-17H2,1H3,(H,25,30);3-5,7-8,11,14-16,18H,6,9-10,12-13H2,1-2H3;5-8,14H,9-11H2,1-4H3,(H,18,21);4-7,9-10,12H,8H2,1-3H3,(H,16,18).

What are the key properties of 3-benzyl-1-(3-imidazol-1-ylpropyl)-6-(2-phenylethyl)piperazine-2,5-dione;6-(2,2-dimethylpropyl)-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione;1-(3-imidazol-1-ylpropyl)-3,4-dimethyl-6-(2-phenylethyl)piperazine-2,5-dione;methyl 5-[5-benzyl-3,6-dioxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazin-2-yl]pentanoate;3-methyl-1-(2-methylpropyl)-6-pyridin-2-ylpiperazine-2,5-dione?

3-benzyl-1-(3-imidazol-1-ylpropyl)-6-(2-phenylethyl)piperazine-2,5-dione;6-(2,2-dimethylpropyl)-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione;1-(3-imidazol-1-ylpropyl)-3,4-dimethyl-6-(2-phenylethyl)piperazine-2,5-dione;methyl 5-[5-benzyl-3,6-dioxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazin-2-yl]pentanoate;3-methyl-1-(2-methylpropyl)-6-pyridin-2-ylpiperazine-2,5-dione has a molecular weight of 1780.24 g/mol, XLogP of 9.56, 34 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzyl-1-(3-imidazol-1-ylpropyl)-6-(2-phenylethyl)piperazine-2,5-dione;6-(2,2-dimethylpropyl)-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione;1-(3-imidazol-1-ylpropyl)-3,4-dimethyl-6-(2-phenylethyl)piperazine-2,5-dione;methyl 5-[5-benzyl-3,6-dioxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazin-2-yl]pentanoate;3-methyl-1-(2-methylpropyl)-6-pyridin-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 160876931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).