1-[[3,5-bis[cyclohexyl-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)amino]-1,3,5-triazinan-1-yl]-cyclohexylamino]-3,3,4,5,5-pentamethylpiperazin-2-one;1-[[3,5-bis[cyclohexyl-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)amino]-1,3,5-triazinan-1-yl]-cyclohexylamino]-3,3,5,5-tetramethylpiperazin-2-one

C93H174N24O6 — CID 160840170

About 1-[[3,5-bis[cyclohexyl-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)amino]-1,3,5-triazinan-1-yl]-cyclohexylamino]-3,3,4,5,5-pentamethylpiperazin-2-one;1-[[3,5-bis[cyclohexyl-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)amino]-1,3,5-triazinan-1-yl]-cyclohexylamino]-3,3,5,5-tetramethylpiperazin-2-one

1-[[3,5-bis[cyclohexyl-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)amino]-1,3,5-triazinan-1-yl]-cyclohexylamino]-3,3,4,5,5-pentamethylpiperazin-2-one;1-[[3,5-bis[cyclohexyl-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)amino]-1,3,5-triazinan-1-yl]-cyclohexylamino]-3,3,5,5-tetramethylpiperazin-2-one (PubChem CID 160840170) has the molecular formula C93H174N24O6 and a molecular weight of 1724.58 g/mol. Its IUPAC name is 1-[[3,5-bis[cyclohexyl-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)amino]-1,3,5-triazinan-1-yl]-cyclohexylamino]-3,3,4,5,5-pentamethylpiperazin-2-one;1-[[3,5-bis[cyclohexyl-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)amino]-1,3,5-triazinan-1-yl]-cyclohexylamino]-3,3,5,5-tetramethylpiperazin-2-one.

Molecular Properties

• Compound Name: 1-[[3,5-bis[cyclohexyl-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)amino]-1,3,5-triazinan-1-yl]-cyclohexylamino]-3,3,4,5,5-pentamethylpiperazin-2-one;1-[[3,5-bis[cyclohexyl-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)amino]-1,3,5-triazinan-1-yl]-cyclohexylamino]-3,3,5,5-tetramethylpiperazin-2-one
• PubChem CID: 160840170
• Molecular Formula: C93H174N24O6
• Molecular Weight: 1724.58 g/mol
• Exact Mass: 1723.40
• IUPAC Name: 1-[[3,5-bis[cyclohexyl-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)amino]-1,3,5-triazinan-1-yl]-cyclohexylamino]-3,3,4,5,5-pentamethylpiperazin-2-one;1-[[3,5-bis[cyclohexyl-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)amino]-1,3,5-triazinan-1-yl]-cyclohexylamino]-3,3,5,5-tetramethylpiperazin-2-one
• SMILES: CC1(C)CN(N(C2CCCCC2)N2CN(N(C3CCCCC3)N3CC(C)(C)NC(C)(C)C3=O)CN(N(C3CCCCC3)N3CC(C)(C)NC(C)(C)C3=O)C2)C(=O)C(C)(C)N1.CN1C(C)(C)CN(N(C2CCCCC2)N2CN(N(C3CCCCC3)N3CC(C)(C)N(C)C(C)(C)C3=O)CN(N(C3CCCCC3)N3CC(C)(C)N(C)C(C)(C)C3=O)C2)C(=O)C1(C)C
• InChI: InChI=1S/C48H90N12O3.C45H84N12O3/c1-43(2)31-55(40(61)46(7,8)49(43)13)58(37-25-19-16-20-26-37)52-34-53(59(38-27-21-17-22-28-38)56-32-44(3,4)50(14)47(9,10)41(56)62)36-54(35-52)60(39-29-23-18-24-30-39)57-33-45(5,6)51(15)48(11,12)42(57)63;1-40(2)28-52(37(58)43(7,8)46-40)55(34-22-16-13-17-23-34)49-31-50(56(35-24-18-14-19-25-35)53-29-41(3,4)47-44(9,10)38(53)59)33-51(32-49)57(36-26-20-15-21-27-36)54-30-42(5,6)48-45(11,12)39(54)60/h37-39H,16-36H2,1-15H3;34-36,46-48H,13-33H2,1-12H3
• InChIKey: SHXQZMWNSMUQDN-UHFFFAOYSA-N
• XLogP: 11.31
• TPSA: 206.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1724.58
LogP ≤ 5	11.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-bis[cyclohexyl-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)amino]-1,3,5-triazinan-1-yl]-cyclohexylamino]-3,3,4,5,5-pentamethylpiperazin-2-one;1-[[3,5-bis[cyclohexyl-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)amino]-1,3,5-triazinan-1-yl]-cyclohexylamino]-3,3,5,5-tetramethylpiperazin-2-one?

The IUPAC name of 1-[[3,5-bis[cyclohexyl-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)amino]-1,3,5-triazinan-1-yl]-cyclohexylamino]-3,3,4,5,5-pentamethylpiperazin-2-one;1-[[3,5-bis[cyclohexyl-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)amino]-1,3,5-triazinan-1-yl]-cyclohexylamino]-3,3,5,5-tetramethylpiperazin-2-one (CID 160840170) is 1-[[3,5-bis[cyclohexyl-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)amino]-1,3,5-triazinan-1-yl]-cyclohexylamino]-3,3,4,5,5-pentamethylpiperazin-2-one;1-[[3,5-bis[cyclohexyl-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)amino]-1,3,5-triazinan-1-yl]-cyclohexylamino]-3,3,5,5-tetramethylpiperazin-2-one.

What is the SMILES notation for 1-[[3,5-bis[cyclohexyl-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)amino]-1,3,5-triazinan-1-yl]-cyclohexylamino]-3,3,4,5,5-pentamethylpiperazin-2-one;1-[[3,5-bis[cyclohexyl-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)amino]-1,3,5-triazinan-1-yl]-cyclohexylamino]-3,3,5,5-tetramethylpiperazin-2-one?

The canonical SMILES for 1-[[3,5-bis[cyclohexyl-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)amino]-1,3,5-triazinan-1-yl]-cyclohexylamino]-3,3,4,5,5-pentamethylpiperazin-2-one;1-[[3,5-bis[cyclohexyl-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)amino]-1,3,5-triazinan-1-yl]-cyclohexylamino]-3,3,5,5-tetramethylpiperazin-2-one is CC1(C)CN(N(C2CCCCC2)N2CN(N(C3CCCCC3)N3CC(C)(C)NC(C)(C)C3=O)CN(N(C3CCCCC3)N3CC(C)(C)NC(C)(C)C3=O)C2)C(=O)C(C)(C)N1.CN1C(C)(C)CN(N(C2CCCCC2)N2CN(N(C3CCCCC3)N3CC(C)(C)N(C)C(C)(C)C3=O)CN(N(C3CCCCC3)N3CC(C)(C)N(C)C(C)(C)C3=O)C2)C(=O)C1(C)C.

What is the InChIKey of 1-[[3,5-bis[cyclohexyl-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)amino]-1,3,5-triazinan-1-yl]-cyclohexylamino]-3,3,4,5,5-pentamethylpiperazin-2-one;1-[[3,5-bis[cyclohexyl-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)amino]-1,3,5-triazinan-1-yl]-cyclohexylamino]-3,3,5,5-tetramethylpiperazin-2-one?

The InChIKey is SHXQZMWNSMUQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H90N12O3.C45H84N12O3/c1-43(2)31-55(40(61)46(7,8)49(43)13)58(37-25-19-16-20-26-37)52-34-53(59(38-27-21-17-22-28-38)56-32-44(3,4)50(14)47(9,10)41(56)62)36-54(35-52)60(39-29-23-18-24-30-39)57-33-45(5,6)51(15)48(11,12)42(57)63;1-40(2)28-52(37(58)43(7,8)46-40)55(34-22-16-13-17-23-34)49-31-50(56(35-24-18-14-19-25-35)53-29-41(3,4)47-44(9,10)38(53)59)33-51(32-49)57(36-26-20-15-21-27-36)54-30-42(5,6)48-45(11,12)39(54)60/h37-39H,16-36H2,1-15H3;34-36,46-48H,13-33H2,1-12H3.

What are the key properties of 1-[[3,5-bis[cyclohexyl-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)amino]-1,3,5-triazinan-1-yl]-cyclohexylamino]-3,3,4,5,5-pentamethylpiperazin-2-one;1-[[3,5-bis[cyclohexyl-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)amino]-1,3,5-triazinan-1-yl]-cyclohexylamino]-3,3,5,5-tetramethylpiperazin-2-one?

1-[[3,5-bis[cyclohexyl-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)amino]-1,3,5-triazinan-1-yl]-cyclohexylamino]-3,3,4,5,5-pentamethylpiperazin-2-one;1-[[3,5-bis[cyclohexyl-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)amino]-1,3,5-triazinan-1-yl]-cyclohexylamino]-3,3,5,5-tetramethylpiperazin-2-one has a molecular weight of 1724.58 g/mol, XLogP of 11.31, 18 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3,5-bis[cyclohexyl-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)amino]-1,3,5-triazinan-1-yl]-cyclohexylamino]-3,3,4,5,5-pentamethylpiperazin-2-one;1-[[3,5-bis[cyclohexyl-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)amino]-1,3,5-triazinan-1-yl]-cyclohexylamino]-3,3,5,5-tetramethylpiperazin-2-one is sourced from PubChem (CID 160840170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).