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

C54H95N11O3 — CID 59898331

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

1-[2-[cyclohexyl-[4-[cyclohexyl-[(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)methyl]amino]-6-[cyclohexyl-[2-(1,2,2,6,6-pentamethyl-3-oxopiperidin-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one (PubChem CID 59898331) has the molecular formula C54H95N11O3 and a molecular weight of 946.43 g/mol. Its IUPAC name is 1-[2-[cyclohexyl-[4-[cyclohexyl-[(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)methyl]amino]-6-[cyclohexyl-[2-(1,2,2,6,6-pentamethyl-3-oxopiperidin-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one.

Molecular Properties

• Compound Name: 1-[2-[cyclohexyl-[4-[cyclohexyl-[(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)methyl]amino]-6-[cyclohexyl-[2-(1,2,2,6,6-pentamethyl-3-oxopiperidin-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one
• PubChem CID: 59898331
• Molecular Formula: C54H95N11O3
• Molecular Weight: 946.43 g/mol
• Exact Mass: 945.76
• IUPAC Name: 1-[2-[cyclohexyl-[4-[cyclohexyl-[(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)methyl]amino]-6-[cyclohexyl-[2-(1,2,2,6,6-pentamethyl-3-oxopiperidin-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one
• SMILES: CN1C(C)(C)CC(CCN(c2nc(N(CCN3CC(C)(C)N(C)C(C)(C)C3=O)C3CCCCC3)nc(N(CN3CC(C)(C)N(C)C(C)(C)C3=O)C3CCCCC3)n2)C2CCCCC2)C(=O)C1(C)C
• InChI: InChI=1S/C54H95N11O3/c1-49(2)35-39(43(66)52(7,8)58(49)13)31-32-63(40-25-19-16-20-26-40)46-55-47(64(41-27-21-17-22-28-41)34-33-61-36-50(3,4)59(14)53(9,10)44(61)67)57-48(56-46)65(42-29-23-18-24-30-42)38-62-37-51(5,6)60(15)54(11,12)45(62)68/h39-42H,16-38H2,1-15H3
• InChIKey: OVYBTZIIBDRSNS-UHFFFAOYSA-N
• XLogP: 8.38
• TPSA: 115.80 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	946.43
LogP ≤ 5	8.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of 1-[2-[cyclohexyl-[4-[cyclohexyl-[(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)methyl]amino]-6-[cyclohexyl-[2-(1,2,2,6,6-pentamethyl-3-oxopiperidin-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one (CID 59898331) is 1-[2-[cyclohexyl-[4-[cyclohexyl-[(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)methyl]amino]-6-[cyclohexyl-[2-(1,2,2,6,6-pentamethyl-3-oxopiperidin-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one.

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

The canonical SMILES for 1-[2-[cyclohexyl-[4-[cyclohexyl-[(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)methyl]amino]-6-[cyclohexyl-[2-(1,2,2,6,6-pentamethyl-3-oxopiperidin-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one is CN1C(C)(C)CC(CCN(c2nc(N(CCN3CC(C)(C)N(C)C(C)(C)C3=O)C3CCCCC3)nc(N(CN3CC(C)(C)N(C)C(C)(C)C3=O)C3CCCCC3)n2)C2CCCCC2)C(=O)C1(C)C.

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

The InChIKey is OVYBTZIIBDRSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H95N11O3/c1-49(2)35-39(43(66)52(7,8)58(49)13)31-32-63(40-25-19-16-20-26-40)46-55-47(64(41-27-21-17-22-28-41)34-33-61-36-50(3,4)59(14)53(9,10)44(61)67)57-48(56-46)65(42-29-23-18-24-30-42)38-62-37-51(5,6)60(15)54(11,12)45(62)68/h39-42H,16-38H2,1-15H3.

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

1-[2-[cyclohexyl-[4-[cyclohexyl-[(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)methyl]amino]-6-[cyclohexyl-[2-(1,2,2,6,6-pentamethyl-3-oxopiperidin-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one has a molecular weight of 946.43 g/mol, XLogP of 8.38, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[cyclohexyl-[4-[cyclohexyl-[(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)methyl]amino]-6-[cyclohexyl-[2-(1,2,2,6,6-pentamethyl-3-oxopiperidin-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one is sourced from PubChem (CID 59898331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).