1-[3-[[4-[2-[[3-[4-[2-[4-[C-[2-[2-[[4,6-bis[cyclohexyl-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propyl]amino]-1,3,5-triazin-2-yl]amino]ethylimino]-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]-N-cyclohexylcarbonimidoyl]-6-[N-cyclohexyl-C-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]carbonimidoyl]-1,3,5-triazin-2-yl]ethyl]-6-[N-cyclohexyl-C-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]carbonimidoyl]-1,3,5-triazin-2-yl]-3-cyclohexylimino-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propylidene]amino]ethylamino]-6-[cyclohexyl-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propyl]amino]-1,3,5-triazin-2-yl]-cyclohexylamino]propyl]-3,3,5,5-tetramethylpiperazin-2-one

C154H258N40O8 — CID 88659464

About 1-[3-[[4-[2-[[3-[4-[2-[4-[C-[2-[2-[[4,6-bis[cyclohexyl-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propyl]amino]-1,3,5-triazin-2-yl]amino]ethylimino]-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]-N-cyclohexylcarbonimidoyl]-6-[N-cyclohexyl-C-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]carbonimidoyl]-1,3,5-triazin-2-yl]ethyl]-6-[N-cyclohexyl-C-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]carbonimidoyl]-1,3,5-triazin-2-yl]-3-cyclohexylimino-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propylidene]amino]ethylamino]-6-[cyclohexyl-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propyl]amino]-1,3,5-triazin-2-yl]-cyclohexylamino]propyl]-3,3,5,5-tetramethylpiperazin-2-one

1-[3-[[4-[2-[[3-[4-[2-[4-[C-[2-[2-[[4,6-bis[cyclohexyl-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propyl]amino]-1,3,5-triazin-2-yl]amino]ethylimino]-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]-N-cyclohexylcarbonimidoyl]-6-[N-cyclohexyl-C-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]carbonimidoyl]-1,3,5-triazin-2-yl]ethyl]-6-[N-cyclohexyl-C-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]carbonimidoyl]-1,3,5-triazin-2-yl]-3-cyclohexylimino-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propylidene]amino]ethylamino]-6-[cyclohexyl-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propyl]amino]-1,3,5-triazin-2-yl]-cyclohexylamino]propyl]-3,3,5,5-tetramethylpiperazin-2-one (PubChem CID 88659464) has the molecular formula C154H258N40O8 and a molecular weight of 2798.03 g/mol. Its IUPAC name is 1-[3-[[4-[2-[[3-[4-[2-[4-[C-[2-[2-[[4,6-bis[cyclohexyl-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propyl]amino]-1,3,5-triazin-2-yl]amino]ethylimino]-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]-N-cyclohexylcarbonimidoyl]-6-[N-cyclohexyl-C-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]carbonimidoyl]-1,3,5-triazin-2-yl]ethyl]-6-[N-cyclohexyl-C-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]carbonimidoyl]-1,3,5-triazin-2-yl]-3-cyclohexylimino-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propylidene]amino]ethylamino]-6-[cyclohexyl-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propyl]amino]-1,3,5-triazin-2-yl]-cyclohexylamino]propyl]-3,3,5,5-tetramethylpiperazin-2-one.

Molecular Properties

• Compound Name: 1-[3-[[4-[2-[[3-[4-[2-[4-[C-[2-[2-[[4,6-bis[cyclohexyl-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propyl]amino]-1,3,5-triazin-2-yl]amino]ethylimino]-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]-N-cyclohexylcarbonimidoyl]-6-[N-cyclohexyl-C-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]carbonimidoyl]-1,3,5-triazin-2-yl]ethyl]-6-[N-cyclohexyl-C-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]carbonimidoyl]-1,3,5-triazin-2-yl]-3-cyclohexylimino-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propylidene]amino]ethylamino]-6-[cyclohexyl-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propyl]amino]-1,3,5-triazin-2-yl]-cyclohexylamino]propyl]-3,3,5,5-tetramethylpiperazin-2-one
• PubChem CID: 88659464
• Molecular Formula: C154H258N40O8
• Molecular Weight: 2798.03 g/mol
• Exact Mass: 2796.10
• IUPAC Name: 1-[3-[[4-[2-[[3-[4-[2-[4-[C-[2-[2-[[4,6-bis[cyclohexyl-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propyl]amino]-1,3,5-triazin-2-yl]amino]ethylimino]-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]-N-cyclohexylcarbonimidoyl]-6-[N-cyclohexyl-C-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]carbonimidoyl]-1,3,5-triazin-2-yl]ethyl]-6-[N-cyclohexyl-C-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]carbonimidoyl]-1,3,5-triazin-2-yl]-3-cyclohexylimino-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propylidene]amino]ethylamino]-6-[cyclohexyl-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propyl]amino]-1,3,5-triazin-2-yl]-cyclohexylamino]propyl]-3,3,5,5-tetramethylpiperazin-2-one
• SMILES: CC1(C)CN(CCCN(c2nc(NCC/N=C(/C/C(=N\C3CCCCC3)c3nc(CCc4nc(/C(C/C(=N\CCNc5nc(N(CCCN6CC(C)(C)NC(C)(C)C6=O)C6CCCCC6)nc(N(CCCN6CC(C)(C)NC(C)(C)C6=O)C6CCCCC6)n5)N5CC(C)(C)NC(C)(C)C5=O)=N\C5CCCCC5)nc(/C(CCN5CC(C)(C)NC(C)(C)C5=O)=N/C5CCCCC5)n4)nc(/C(CCN4CC(C)(C)NC(C)(C)C4=O)=N/C4CCCCC4)n3)N3CC(C)(C)NC(C)(C)C3=O)nc(N(CCCN3CC(C)(C)NC(C)(C)C3=O)C3CCCCC3)n2)C2CCCCC2)C(=O)C(C)(C)N1
• InChI: InChI=1S/C154H258N40O8/c1-139(2)97-183(125(195)147(17,18)175-139)85-57-89-189(109-69-49-37-50-70-109)135-169-133(170-136(173-135)190(110-71-51-38-52-72-110)90-58-86-184-98-140(3,4)176-148(19,20)126(184)196)157-83-81-155-119(193-103-145(13,14)181-153(29,30)131(193)201)95-115(161-107-65-45-35-46-66-107)123-165-117(163-121(167-123)113(159-105-61-41-33-42-62-105)79-93-187-101-143(9,10)179-151(25,26)129(187)199)77-78-118-164-122(114(160-106-63-43-34-44-64-106)80-94-188-102-144(11,12)180-152(27,28)130(188)200)168-124(166-118)116(162-108-67-47-36-48-68-108)96-120(194-104-146(15,16)182-154(31,32)132(194)202)156-82-84-158-134-171-137(191(111-73-53-39-54-74-111)91-59-87-185-99-141(5,6)177-149(21,22)127(185)197)174-138(172-134)192(112-75-55-40-56-76-112)92-60-88-186-100-142(7,8)178-150(23,24)128(186)198/h105-112,175-182H,33-104H2,1-32H3,(H,157,169,170,173)(H,158,171,172,174)/b155-119-,156-120+,159-113+,160-114+,161-115+,162-116-
• InChIKey: WHIFPHXWUNGYAU-XFZCNSIYSA-N
• XLogP: 19.31
• TPSA: 524.58 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 40
• Rotatable Bonds: 53
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2798.03
LogP ≤ 5	19.31
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-[2-[[3-[4-[2-[4-[C-[2-[2-[[4,6-bis[cyclohexyl-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propyl]amino]-1,3,5-triazin-2-yl]amino]ethylimino]-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]-N-cyclohexylcarbonimidoyl]-6-[N-cyclohexyl-C-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]carbonimidoyl]-1,3,5-triazin-2-yl]ethyl]-6-[N-cyclohexyl-C-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]carbonimidoyl]-1,3,5-triazin-2-yl]-3-cyclohexylimino-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propylidene]amino]ethylamino]-6-[cyclohexyl-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propyl]amino]-1,3,5-triazin-2-yl]-cyclohexylamino]propyl]-3,3,5,5-tetramethylpiperazin-2-one?

The IUPAC name of 1-[3-[[4-[2-[[3-[4-[2-[4-[C-[2-[2-[[4,6-bis[cyclohexyl-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propyl]amino]-1,3,5-triazin-2-yl]amino]ethylimino]-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]-N-cyclohexylcarbonimidoyl]-6-[N-cyclohexyl-C-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]carbonimidoyl]-1,3,5-triazin-2-yl]ethyl]-6-[N-cyclohexyl-C-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]carbonimidoyl]-1,3,5-triazin-2-yl]-3-cyclohexylimino-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propylidene]amino]ethylamino]-6-[cyclohexyl-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propyl]amino]-1,3,5-triazin-2-yl]-cyclohexylamino]propyl]-3,3,5,5-tetramethylpiperazin-2-one (CID 88659464) is 1-[3-[[4-[2-[[3-[4-[2-[4-[C-[2-[2-[[4,6-bis[cyclohexyl-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propyl]amino]-1,3,5-triazin-2-yl]amino]ethylimino]-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]-N-cyclohexylcarbonimidoyl]-6-[N-cyclohexyl-C-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]carbonimidoyl]-1,3,5-triazin-2-yl]ethyl]-6-[N-cyclohexyl-C-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]carbonimidoyl]-1,3,5-triazin-2-yl]-3-cyclohexylimino-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propylidene]amino]ethylamino]-6-[cyclohexyl-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propyl]amino]-1,3,5-triazin-2-yl]-cyclohexylamino]propyl]-3,3,5,5-tetramethylpiperazin-2-one.

What is the SMILES notation for 1-[3-[[4-[2-[[3-[4-[2-[4-[C-[2-[2-[[4,6-bis[cyclohexyl-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propyl]amino]-1,3,5-triazin-2-yl]amino]ethylimino]-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]-N-cyclohexylcarbonimidoyl]-6-[N-cyclohexyl-C-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]carbonimidoyl]-1,3,5-triazin-2-yl]ethyl]-6-[N-cyclohexyl-C-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]carbonimidoyl]-1,3,5-triazin-2-yl]-3-cyclohexylimino-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propylidene]amino]ethylamino]-6-[cyclohexyl-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propyl]amino]-1,3,5-triazin-2-yl]-cyclohexylamino]propyl]-3,3,5,5-tetramethylpiperazin-2-one?

The canonical SMILES for 1-[3-[[4-[2-[[3-[4-[2-[4-[C-[2-[2-[[4,6-bis[cyclohexyl-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propyl]amino]-1,3,5-triazin-2-yl]amino]ethylimino]-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]-N-cyclohexylcarbonimidoyl]-6-[N-cyclohexyl-C-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]carbonimidoyl]-1,3,5-triazin-2-yl]ethyl]-6-[N-cyclohexyl-C-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]carbonimidoyl]-1,3,5-triazin-2-yl]-3-cyclohexylimino-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propylidene]amino]ethylamino]-6-[cyclohexyl-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propyl]amino]-1,3,5-triazin-2-yl]-cyclohexylamino]propyl]-3,3,5,5-tetramethylpiperazin-2-one is CC1(C)CN(CCCN(c2nc(NCC/N=C(/C/C(=N\C3CCCCC3)c3nc(CCc4nc(/C(C/C(=N\CCNc5nc(N(CCCN6CC(C)(C)NC(C)(C)C6=O)C6CCCCC6)nc(N(CCCN6CC(C)(C)NC(C)(C)C6=O)C6CCCCC6)n5)N5CC(C)(C)NC(C)(C)C5=O)=N\C5CCCCC5)nc(/C(CCN5CC(C)(C)NC(C)(C)C5=O)=N/C5CCCCC5)n4)nc(/C(CCN4CC(C)(C)NC(C)(C)C4=O)=N/C4CCCCC4)n3)N3CC(C)(C)NC(C)(C)C3=O)nc(N(CCCN3CC(C)(C)NC(C)(C)C3=O)C3CCCCC3)n2)C2CCCCC2)C(=O)C(C)(C)N1.

What is the InChIKey of 1-[3-[[4-[2-[[3-[4-[2-[4-[C-[2-[2-[[4,6-bis[cyclohexyl-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propyl]amino]-1,3,5-triazin-2-yl]amino]ethylimino]-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]-N-cyclohexylcarbonimidoyl]-6-[N-cyclohexyl-C-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]carbonimidoyl]-1,3,5-triazin-2-yl]ethyl]-6-[N-cyclohexyl-C-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]carbonimidoyl]-1,3,5-triazin-2-yl]-3-cyclohexylimino-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propylidene]amino]ethylamino]-6-[cyclohexyl-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propyl]amino]-1,3,5-triazin-2-yl]-cyclohexylamino]propyl]-3,3,5,5-tetramethylpiperazin-2-one?

The InChIKey is WHIFPHXWUNGYAU-XFZCNSIYSA-N. The full InChI is InChI=1S/C154H258N40O8/c1-139(2)97-183(125(195)147(17,18)175-139)85-57-89-189(109-69-49-37-50-70-109)135-169-133(170-136(173-135)190(110-71-51-38-52-72-110)90-58-86-184-98-140(3,4)176-148(19,20)126(184)196)157-83-81-155-119(193-103-145(13,14)181-153(29,30)131(193)201)95-115(161-107-65-45-35-46-66-107)123-165-117(163-121(167-123)113(159-105-61-41-33-42-62-105)79-93-187-101-143(9,10)179-151(25,26)129(187)199)77-78-118-164-122(114(160-106-63-43-34-44-64-106)80-94-188-102-144(11,12)180-152(27,28)130(188)200)168-124(166-118)116(162-108-67-47-36-48-68-108)96-120(194-104-146(15,16)182-154(31,32)132(194)202)156-82-84-158-134-171-137(191(111-73-53-39-54-74-111)91-59-87-185-99-141(5,6)177-149(21,22)127(185)197)174-138(172-134)192(112-75-55-40-56-76-112)92-60-88-186-100-142(7,8)178-150(23,24)128(186)198/h105-112,175-182H,33-104H2,1-32H3,(H,157,169,170,173)(H,158,171,172,174)/b155-119-,156-120+,159-113+,160-114+,161-115+,162-116-.

What are the key properties of 1-[3-[[4-[2-[[3-[4-[2-[4-[C-[2-[2-[[4,6-bis[cyclohexyl-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propyl]amino]-1,3,5-triazin-2-yl]amino]ethylimino]-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]-N-cyclohexylcarbonimidoyl]-6-[N-cyclohexyl-C-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]carbonimidoyl]-1,3,5-triazin-2-yl]ethyl]-6-[N-cyclohexyl-C-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]carbonimidoyl]-1,3,5-triazin-2-yl]-3-cyclohexylimino-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propylidene]amino]ethylamino]-6-[cyclohexyl-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propyl]amino]-1,3,5-triazin-2-yl]-cyclohexylamino]propyl]-3,3,5,5-tetramethylpiperazin-2-one?

1-[3-[[4-[2-[[3-[4-[2-[4-[C-[2-[2-[[4,6-bis[cyclohexyl-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propyl]amino]-1,3,5-triazin-2-yl]amino]ethylimino]-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]-N-cyclohexylcarbonimidoyl]-6-[N-cyclohexyl-C-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]carbonimidoyl]-1,3,5-triazin-2-yl]ethyl]-6-[N-cyclohexyl-C-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]carbonimidoyl]-1,3,5-triazin-2-yl]-3-cyclohexylimino-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propylidene]amino]ethylamino]-6-[cyclohexyl-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propyl]amino]-1,3,5-triazin-2-yl]-cyclohexylamino]propyl]-3,3,5,5-tetramethylpiperazin-2-one has a molecular weight of 2798.03 g/mol, XLogP of 19.31, 53 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[[4-[2-[[3-[4-[2-[4-[C-[2-[2-[[4,6-bis[cyclohexyl-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propyl]amino]-1,3,5-triazin-2-yl]amino]ethylimino]-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]-N-cyclohexylcarbonimidoyl]-6-[N-cyclohexyl-C-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]carbonimidoyl]-1,3,5-triazin-2-yl]ethyl]-6-[N-cyclohexyl-C-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]carbonimidoyl]-1,3,5-triazin-2-yl]-3-cyclohexylimino-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propylidene]amino]ethylamino]-6-[cyclohexyl-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propyl]amino]-1,3,5-triazin-2-yl]-cyclohexylamino]propyl]-3,3,5,5-tetramethylpiperazin-2-one is sourced from PubChem (CID 88659464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).