1-[2-[butyl-[4-[butyl-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one

C34H63N9O2 — CID 21055544

About 1-[2-[butyl-[4-[butyl-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one

1-[2-[butyl-[4-[butyl-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one (PubChem CID 21055544) has the molecular formula C34H63N9O2 and a molecular weight of 629.94 g/mol. Its IUPAC name is 1-[2-[butyl-[4-[butyl-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one.

Molecular Properties

• Compound Name: 1-[2-[butyl-[4-[butyl-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one
• PubChem CID: 21055544
• Molecular Formula: C34H63N9O2
• Molecular Weight: 629.94 g/mol
• Exact Mass: 629.51
• IUPAC Name: 1-[2-[butyl-[4-[butyl-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one
• SMILES: CCCCN(CCN1CC(C)(C)N(C)C(C)(C)C1=O)c1nc(C)nc(N(CCCC)CCN2CC(C)(C)N(C)C(C)(C)C2=O)n1
• InChI: InChI=1S/C34H63N9O2/c1-14-16-18-40(20-22-42-24-31(4,5)38(12)33(8,9)27(42)44)29-35-26(3)36-30(37-29)41(19-17-15-2)21-23-43-25-32(6,7)39(13)34(10,11)28(43)45/h14-25H2,1-13H3
• InChIKey: PHRURCXJDVXRLJ-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 92.25 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	629.94
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[2-[butyl-[4-[butyl-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one?

The IUPAC name of 1-[2-[butyl-[4-[butyl-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one (CID 21055544) is 1-[2-[butyl-[4-[butyl-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one.

What is the SMILES notation for 1-[2-[butyl-[4-[butyl-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one?

The canonical SMILES for 1-[2-[butyl-[4-[butyl-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one is CCCCN(CCN1CC(C)(C)N(C)C(C)(C)C1=O)c1nc(C)nc(N(CCCC)CCN2CC(C)(C)N(C)C(C)(C)C2=O)n1.

What is the InChIKey of 1-[2-[butyl-[4-[butyl-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one?

The InChIKey is PHRURCXJDVXRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H63N9O2/c1-14-16-18-40(20-22-42-24-31(4,5)38(12)33(8,9)27(42)44)29-35-26(3)36-30(37-29)41(19-17-15-2)21-23-43-25-32(6,7)39(13)34(10,11)28(43)45/h14-25H2,1-13H3.

What are the key properties of 1-[2-[butyl-[4-[butyl-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one?

1-[2-[butyl-[4-[butyl-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one has a molecular weight of 629.94 g/mol, XLogP of 4.06, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[butyl-[4-[butyl-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one is sourced from PubChem (CID 21055544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).