methane;3,3,4,5,5-pentamethyl-1-[2-[6-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethylamino]hexylamino]ethyl]piperazin-2-one;3,3,5,5-tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one

C57H116N12O4 — CID 158412801

About methane;3,3,4,5,5-pentamethyl-1-[2-[6-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethylamino]hexylamino]ethyl]piperazin-2-one;3,3,5,5-tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one

methane;3,3,4,5,5-pentamethyl-1-[2-[6-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethylamino]hexylamino]ethyl]piperazin-2-one;3,3,5,5-tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one (PubChem CID 158412801) has the molecular formula C57H116N12O4 and a molecular weight of 1033.63 g/mol. Its IUPAC name is methane;3,3,4,5,5-pentamethyl-1-[2-[6-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethylamino]hexylamino]ethyl]piperazin-2-one;3,3,5,5-tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one.

Molecular Properties

• Compound Name: methane;3,3,4,5,5-pentamethyl-1-[2-[6-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethylamino]hexylamino]ethyl]piperazin-2-one;3,3,5,5-tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one
• PubChem CID: 158412801
• Molecular Formula: C57H116N12O4
• Molecular Weight: 1033.63 g/mol
• Exact Mass: 1032.92
• IUPAC Name: methane;3,3,4,5,5-pentamethyl-1-[2-[6-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethylamino]hexylamino]ethyl]piperazin-2-one;3,3,5,5-tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one
• SMILES: C.CC(CN1CC(C)(C)NC(C)(C)C1=O)NCCCCCCNC(C)CN1CC(C)(C)NC(C)(C)C1=O.CN1C(C)(C)CN(CCNCCCCCCNCCN2CC(C)(C)N(C)C(C)(C)C2=O)C(=O)C1(C)C
• InChI: InChI=1S/2C28H56N6O2.CH4/c1-21(17-33-19-25(3,4)31-27(7,8)23(33)35)29-15-13-11-12-14-16-30-22(2)18-34-20-26(5,6)32-28(9,10)24(34)36;1-25(2)21-33(23(35)27(5,6)31(25)9)19-17-29-15-13-11-12-14-16-30-18-20-34-22-26(3,4)32(10)28(7,8)24(34)36;/h21-22,29-32H,11-20H2,1-10H3;29-30H,11-22H2,1-10H3;1H4
• InChIKey: GZNCEKZZLWZSRN-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 159.90 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 26
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1033.63
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methane;3,3,4,5,5-pentamethyl-1-[2-[6-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethylamino]hexylamino]ethyl]piperazin-2-one;3,3,5,5-tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one?

The IUPAC name of methane;3,3,4,5,5-pentamethyl-1-[2-[6-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethylamino]hexylamino]ethyl]piperazin-2-one;3,3,5,5-tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one (CID 158412801) is methane;3,3,4,5,5-pentamethyl-1-[2-[6-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethylamino]hexylamino]ethyl]piperazin-2-one;3,3,5,5-tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one.

What is the SMILES notation for methane;3,3,4,5,5-pentamethyl-1-[2-[6-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethylamino]hexylamino]ethyl]piperazin-2-one;3,3,5,5-tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one?

The canonical SMILES for methane;3,3,4,5,5-pentamethyl-1-[2-[6-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethylamino]hexylamino]ethyl]piperazin-2-one;3,3,5,5-tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one is C.CC(CN1CC(C)(C)NC(C)(C)C1=O)NCCCCCCNC(C)CN1CC(C)(C)NC(C)(C)C1=O.CN1C(C)(C)CN(CCNCCCCCCNCCN2CC(C)(C)N(C)C(C)(C)C2=O)C(=O)C1(C)C.

What is the InChIKey of methane;3,3,4,5,5-pentamethyl-1-[2-[6-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethylamino]hexylamino]ethyl]piperazin-2-one;3,3,5,5-tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one?

The InChIKey is GZNCEKZZLWZSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H56N6O2.CH4/c1-21(17-33-19-25(3,4)31-27(7,8)23(33)35)29-15-13-11-12-14-16-30-22(2)18-34-20-26(5,6)32-28(9,10)24(34)36;1-25(2)21-33(23(35)27(5,6)31(25)9)19-17-29-15-13-11-12-14-16-30-18-20-34-22-26(3,4)32(10)28(7,8)24(34)36;/h21-22,29-32H,11-20H2,1-10H3;29-30H,11-22H2,1-10H3;1H4.

What are the key properties of methane;3,3,4,5,5-pentamethyl-1-[2-[6-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethylamino]hexylamino]ethyl]piperazin-2-one;3,3,5,5-tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one?

methane;3,3,4,5,5-pentamethyl-1-[2-[6-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethylamino]hexylamino]ethyl]piperazin-2-one;3,3,5,5-tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one has a molecular weight of 1033.63 g/mol, XLogP of 5.51, 26 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for methane;3,3,4,5,5-pentamethyl-1-[2-[6-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethylamino]hexylamino]ethyl]piperazin-2-one;3,3,5,5-tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one is sourced from PubChem (CID 158412801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).