6-[4-[bis(2-hydroxypentadecyl)amino]butyl]-1-(2-hydroxypentadecyl)-3-[4-[2-hydroxypentadecyl(2-methylpentadecyl)amino]butyl]piperazine-2,5-dione;3-[4-[bis(2-hydroxypentadecyl)amino]butyl]-6-[4-[2-hydroxypentadecyl(2-methylpentadecyl)amino]butyl]piperazine-2,5-dione;6-[4-[bis(2-hydroxytetradecyl)amino]butyl]-3-[4-[2-hydroxypropyl(2-methyltetradecyl)amino]butyl]-1-(2-hydroxytetradecyl)piperazine-2,5-dione

C233H466N12O17 — CID 157070862

IUPAC6-[4-[bis(2-hydroxypentadecyl)amino]butyl]-1-(2-hydroxypentadecyl)-3-[4-[2-hydroxypentadecyl(2-methylpentadecyl)amino]butyl]piperazine-2,5-dione;3-[4-[bis(2-hydroxypentadecyl)amino]butyl]-6-[4-[2-hydroxypentadecyl(2-methylpentadecyl)amino]butyl]piperazine-2,5-dione;6-[4-[bis(2-hydroxytetradecyl)amino]butyl]-3-[4-[2-hydroxypropyl(2-methyltetradecyl)amino]butyl]-1-(2-hydroxytetradecyl)piperazine-2,5-dione
SMILESCCCCCCCCCCCCC(C)CN(CCCCC1NC(=O)C(CCCCN(CC(O)CCCCCCCCCCCC)CC(O)CCCCCCCCCCCC)N(CC(O)CCCCCCCCCCCC)C1=O)CC(C)O.CCCCCCCCCCCCCC(C)CN(CCCCC1NC(=O)C(CCCCN(CC(O)CCCCCCCCCCCCC)CC(O)CCCCCCCCCCCCC)N(CC(O)CCCCCCCCCCCCC)C1=O)CC(O)CCCCCCCCCCCCC.CCCCCCCCCCCCCC(C)CN(CCCCC1NC(=O)C(CCCCN(CC(O)CCCCCCCCCCCCC)CC(O)CCCCCCCCCCCCC)NC1=O)CC(O)CCCCCCCCCCCCC
InChIInChI=1S/C88H176N4O6.C73H146N4O5.C72H144N4O6/c1-7-12-17-22-27-32-37-42-47-52-57-66-80(6)75-90(76-81(93)67-58-53-48-43-38-33-28-23-18-13-8-2)73-64-62-71-85-88(98)92(79-84(96)70-61-56-51-46-41-36-31-26-21-16-11-5)86(87(97)89-85)72-63-65-74-91(77-82(94)68-59-54-49-44-39-34-29-24-19-14-9-3)78-83(95)69-60-55-50-45-40-35-30-25-20-15-10-4;1-6-10-14-18-22-26-30-34-38-42-46-54-66(5)62-76(63-67(78)55-47-43-39-35-31-27-23-19-15-11-7-2)60-52-50-58-70-72(81)75-71(73(82)74-70)59-51-53-61-77(64-68(79)56-48-44-40-36-32-28-24-20-16-12-8-3)65-69(80)57-49-45-41-37-33-29-25-21-17-13-9-4;1-7-11-15-19-23-27-31-35-39-43-51-64(5)59-74(60-65(6)77)57-49-47-55-69-72(82)76(63-68(80)54-46-42-38-34-30-26-22-18-14-10-4)70(71(81)73-69)56-48-50-58-75(61-66(78)52-44-40-36-32-28-24-20-16-12-8-2)62-67(79)53-45-41-37-33-29-25-21-17-13-9-3/h80-86,93-96H,7-79H2,1-6H3,(H,89,97);66-71,78-80H,6-65H2,1-5H3,(H,74,82)(H,75,81);64-70,77-80H,7-63H2,1-6H3,(H,73,81)
InChIKeyACKLMTKWXDESPL-UHFFFAOYSA-N
MW3708.36 g/mol
LogP61.62
Rot. Bonds210

About 6-[4-[bis(2-hydroxypentadecyl)amino]butyl]-1-(2-hydroxypentadecyl)-3-[4-[2-hydroxypentadecyl(2-methylpentadecyl)amino]butyl]piperazine-2,5-dione;3-[4-[bis(2-hydroxypentadecyl)amino]butyl]-6-[4-[2-hydroxypentadecyl(2-methylpentadecyl)amino]butyl]piperazine-2,5-dione;6-[4-[bis(2-hydroxytetradecyl)amino]butyl]-3-[4-[2-hydroxypropyl(2-methyltetradecyl)amino]butyl]-1-(2-hydroxytetradecyl)piperazine-2,5-dione

6-[4-[bis(2-hydroxypentadecyl)amino]butyl]-1-(2-hydroxypentadecyl)-3-[4-[2-hydroxypentadecyl(2-methylpentadecyl)amino]butyl]piperazine-2,5-dione;3-[4-[bis(2-hydroxypentadecyl)amino]butyl]-6-[4-[2-hydroxypentadecyl(2-methylpentadecyl)amino]butyl]piperazine-2,5-dione;6-[4-[bis(2-hydroxytetradecyl)amino]butyl]-3-[4-[2-hydroxypropyl(2-methyltetradecyl)amino]butyl]-1-(2-hydroxytetradecyl)piperazine-2,5-dione (PubChem CID 157070862) has the molecular formula C233H466N12O17 and a molecular weight of 3708.36 g/mol. Its IUPAC name is 6-[4-[bis(2-hydroxypentadecyl)amino]butyl]-1-(2-hydroxypentadecyl)-3-[4-[2-hydroxypentadecyl(2-methylpentadecyl)amino]butyl]piperazine-2,5-dione;3-[4-[bis(2-hydroxypentadecyl)amino]butyl]-6-[4-[2-hydroxypentadecyl(2-methylpentadecyl)amino]butyl]piperazine-2,5-dione;6-[4-[bis(2-hydroxytetradecyl)amino]butyl]-3-[4-[2-hydroxypropyl(2-methyltetradecyl)amino]butyl]-1-(2-hydroxytetradecyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-[4-[bis(2-hydroxypentadecyl)amino]butyl]-1-(2-hydroxypentadecyl)-3-[4-[2-hydroxypentadecyl(2-methylpentadecyl)amino]butyl]piperazine-2,5-dione;3-[4-[bis(2-hydroxypentadecyl)amino]butyl]-6-[4-[2-hydroxypentadecyl(2-methylpentadecyl)amino]butyl]piperazine-2,5-dione;6-[4-[bis(2-hydroxytetradecyl)amino]butyl]-3-[4-[2-hydroxypropyl(2-methyltetradecyl)amino]butyl]-1-(2-hydroxytetradecyl)piperazine-2,5-dione
PubChem CID157070862
Molecular FormulaC233H466N12O17
Molecular Weight3708.36 g/mol
Exact Mass3705.60
IUPAC Name6-[4-[bis(2-hydroxypentadecyl)amino]butyl]-1-(2-hydroxypentadecyl)-3-[4-[2-hydroxypentadecyl(2-methylpentadecyl)amino]butyl]piperazine-2,5-dione;3-[4-[bis(2-hydroxypentadecyl)amino]butyl]-6-[4-[2-hydroxypentadecyl(2-methylpentadecyl)amino]butyl]piperazine-2,5-dione;6-[4-[bis(2-hydroxytetradecyl)amino]butyl]-3-[4-[2-hydroxypropyl(2-methyltetradecyl)amino]butyl]-1-(2-hydroxytetradecyl)piperazine-2,5-dione
SMILESCCCCCCCCCCCCC(C)CN(CCCCC1NC(=O)C(CCCCN(CC(O)CCCCCCCCCCCC)CC(O)CCCCCCCCCCCC)N(CC(O)CCCCCCCCCCCC)C1=O)CC(C)O.CCCCCCCCCCCCCC(C)CN(CCCCC1NC(=O)C(CCCCN(CC(O)CCCCCCCCCCCCC)CC(O)CCCCCCCCCCCCC)N(CC(O)CCCCCCCCCCCCC)C1=O)CC(O)CCCCCCCCCCCCC.CCCCCCCCCCCCCC(C)CN(CCCCC1NC(=O)C(CCCCN(CC(O)CCCCCCCCCCCCC)CC(O)CCCCCCCCCCCCC)NC1=O)CC(O)CCCCCCCCCCCCC
InChIInChI=1S/C88H176N4O6.C73H146N4O5.C72H144N4O6/c1-7-12-17-22-27-32-37-42-47-52-57-66-80(6)75-90(76-81(93)67-58-53-48-43-38-33-28-23-18-13-8-2)73-64-62-71-85-88(98)92(79-84(96)70-61-56-51-46-41-36-31-26-21-16-11-5)86(87(97)89-85)72-63-65-74-91(77-82(94)68-59-54-49-44-39-34-29-24-19-14-9-3)78-83(95)69-60-55-50-45-40-35-30-25-20-15-10-4;1-6-10-14-18-22-26-30-34-38-42-46-54-66(5)62-76(63-67(78)55-47-43-39-35-31-27-23-19-15-11-7-2)60-52-50-58-70-72(81)75-71(73(82)74-70)59-51-53-61-77(64-68(79)56-48-44-40-36-32-28-24-20-16-12-8-3)65-69(80)57-49-45-41-37-33-29-25-21-17-13-9-4;1-7-11-15-19-23-27-31-35-39-43-51-64(5)59-74(60-65(6)77)57-49-47-55-69-72(82)76(63-68(80)54-46-42-38-34-30-26-22-18-14-10-4)70(71(81)73-69)56-48-50-58-75(61-66(78)52-44-40-36-32-28-24-20-16-12-8-2)62-67(79)53-45-41-37-33-29-25-21-17-13-9-3/h80-86,93-96H,7-79H2,1-6H3,(H,89,97);66-71,78-80H,6-65H2,1-5H3,(H,74,82)(H,75,81);64-70,77-80H,7-63H2,1-6H3,(H,73,81)
InChIKeyACKLMTKWXDESPL-UHFFFAOYSA-N
XLogP61.62
TPSA398.99 Ų
H-Bond Donors15
H-Bond Acceptors23
Rotatable Bonds210
Heavy Atoms262
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003708.36
LogP ≤ 561.62
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 6-[4-[bis(2-hydroxypentadecyl)amino]butyl]-1-(2-hydroxypentadecyl)-3-[4-[2-hydroxypentadecyl(2-methylpentadecyl)amino]butyl]piperazine-2,5-dione;3-[4-[bis(2-hydroxypentadecyl)amino]butyl]-6-[4-[2-hydroxypentadecyl(2-methylpentadecyl)amino]butyl]piperazine-2,5-dione;6-[4-[bis(2-hydroxytetradecyl)amino]butyl]-3-[4-[2-hydroxypropyl(2-methyltetradecyl)amino]butyl]-1-(2-hydroxytetradecyl)piperazine-2,5-dione with MolForge

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Related Compounds

3,6-bis[4-[bis(2-hydroxyundecyl)amino]butyl]-1-(2-hydroxyundecyl)piperazine-2,5-dione;3,6-bis[4-[bis(2-hydroxyundecyl)amino]butyl]piperazine-2,5-dione
CID 161002403
(3S,6R)-3-[4-[bis[(2R)-2-hydroxydodecyl]amino]butyl]-6-[4-[[(2S)-2-hydroxydodecyl]-[(2S)-2-hydroxypropyl]amino]butyl]piperazine-2,5-dione
CID 118603390
(3S,6R)-3-[4-[bis[(2R)-2-hydroxydodecyl]amino]butyl]-6-[4-[[(2R)-2-hydroxydodecyl]-[(2R)-2-hydroxypropyl]amino]butyl]piperazine-2,5-dione
CID 118603384
(3S,6S)-3,6-bis[4-[bis[(2S)-2-hydroxypropyl]amino]butyl]piperazine-2,5-dione
CID 118606202
3-[4-[bis(2-hydroxydodecyl)amino]butyl]-6-[4-[2-hydroxydodecyl(2-hydroxypropyl)amino]butyl]-1,4-dioxane-2,5-dione
CID 162020847
S-[4-[bis(2-hydroxyoctadecyl)amino]butyl] 3-[5-[3-[4-[bis(2-hydroxyoctadecyl)amino]butylsulfanyl]-3-oxopropyl]-3,6-dioxopiperazin-2-yl]propanethioate
CID 167380911
2-[5-[2-[4-[bis(2-hydroxydecyl)amino]butanoyloxy]ethyl]-3,6-dioxopiperazin-2-yl]ethyl 4-[bis(2-hydroxydecyl)amino]butanoate
CID 153315865
(3R,6R)-3,6-bis[4-[bis[(2R)-2-hydroxydodecyl]amino]butyl]piperazine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) (2R)-2-amino-6-[bis[(2R)-2-hydroxydodecyl]amino]hexanoate
CID 158717969
3,6-bis[2-[2-[bis(2-hydroxyoctyl)amino]ethoxy]ethyl]piperazine-2,5-dione
CID 167380831
2-ethylhexyl 7-[4-[5-[4-[bis[7-(2-ethylhexoxy)-2-hydroxy-7-oxoheptyl]amino]butyl]-3,6-dioxopiperazin-2-yl]butyl-[7-(2-ethylhexoxy)-2-hydroxy-7-oxoheptyl]amino]-6-hydroxyheptanoate
CID 171080433
3-[4-[bis(2-chloro-2-hydroxyethyl)amino]butyl]-6-[4-[bis(2-hydroxypropyl)amino]butyl]piperazine-2,5-dione
CID 167202020
3-[4-[bis(2-hydroxypropyl)amino]butyl]-6-(1-hydroxyethyl)piperazine-2,5-dione
CID 147749001

Frequently Asked Questions

What is the IUPAC name of 6-[4-[bis(2-hydroxypentadecyl)amino]butyl]-1-(2-hydroxypentadecyl)-3-[4-[2-hydroxypentadecyl(2-methylpentadecyl)amino]butyl]piperazine-2,5-dione;3-[4-[bis(2-hydroxypentadecyl)amino]butyl]-6-[4-[2-hydroxypentadecyl(2-methylpentadecyl)amino]butyl]piperazine-2,5-dione;6-[4-[bis(2-hydroxytetradecyl)amino]butyl]-3-[4-[2-hydroxypropyl(2-methyltetradecyl)amino]butyl]-1-(2-hydroxytetradecyl)piperazine-2,5-dione?
The IUPAC name of 6-[4-[bis(2-hydroxypentadecyl)amino]butyl]-1-(2-hydroxypentadecyl)-3-[4-[2-hydroxypentadecyl(2-methylpentadecyl)amino]butyl]piperazine-2,5-dione;3-[4-[bis(2-hydroxypentadecyl)amino]butyl]-6-[4-[2-hydroxypentadecyl(2-methylpentadecyl)amino]butyl]piperazine-2,5-dione;6-[4-[bis(2-hydroxytetradecyl)amino]butyl]-3-[4-[2-hydroxypropyl(2-methyltetradecyl)amino]butyl]-1-(2-hydroxytetradecyl)piperazine-2,5-dione (CID 157070862) is 6-[4-[bis(2-hydroxypentadecyl)amino]butyl]-1-(2-hydroxypentadecyl)-3-[4-[2-hydroxypentadecyl(2-methylpentadecyl)amino]butyl]piperazine-2,5-dione;3-[4-[bis(2-hydroxypentadecyl)amino]butyl]-6-[4-[2-hydroxypentadecyl(2-methylpentadecyl)amino]butyl]piperazine-2,5-dione;6-[4-[bis(2-hydroxytetradecyl)amino]butyl]-3-[4-[2-hydroxypropyl(2-methyltetradecyl)amino]butyl]-1-(2-hydroxytetradecyl)piperazine-2,5-dione.
What is the SMILES notation for 6-[4-[bis(2-hydroxypentadecyl)amino]butyl]-1-(2-hydroxypentadecyl)-3-[4-[2-hydroxypentadecyl(2-methylpentadecyl)amino]butyl]piperazine-2,5-dione;3-[4-[bis(2-hydroxypentadecyl)amino]butyl]-6-[4-[2-hydroxypentadecyl(2-methylpentadecyl)amino]butyl]piperazine-2,5-dione;6-[4-[bis(2-hydroxytetradecyl)amino]butyl]-3-[4-[2-hydroxypropyl(2-methyltetradecyl)amino]butyl]-1-(2-hydroxytetradecyl)piperazine-2,5-dione?
The canonical SMILES for 6-[4-[bis(2-hydroxypentadecyl)amino]butyl]-1-(2-hydroxypentadecyl)-3-[4-[2-hydroxypentadecyl(2-methylpentadecyl)amino]butyl]piperazine-2,5-dione;3-[4-[bis(2-hydroxypentadecyl)amino]butyl]-6-[4-[2-hydroxypentadecyl(2-methylpentadecyl)amino]butyl]piperazine-2,5-dione;6-[4-[bis(2-hydroxytetradecyl)amino]butyl]-3-[4-[2-hydroxypropyl(2-methyltetradecyl)amino]butyl]-1-(2-hydroxytetradecyl)piperazine-2,5-dione is CCCCCCCCCCCCC(C)CN(CCCCC1NC(=O)C(CCCCN(CC(O)CCCCCCCCCCCC)CC(O)CCCCCCCCCCCC)N(CC(O)CCCCCCCCCCCC)C1=O)CC(C)O.CCCCCCCCCCCCCC(C)CN(CCCCC1NC(=O)C(CCCCN(CC(O)CCCCCCCCCCCCC)CC(O)CCCCCCCCCCCCC)N(CC(O)CCCCCCCCCCCCC)C1=O)CC(O)CCCCCCCCCCCCC.CCCCCCCCCCCCCC(C)CN(CCCCC1NC(=O)C(CCCCN(CC(O)CCCCCCCCCCCCC)CC(O)CCCCCCCCCCCCC)NC1=O)CC(O)CCCCCCCCCCCCC.
What is the InChIKey of 6-[4-[bis(2-hydroxypentadecyl)amino]butyl]-1-(2-hydroxypentadecyl)-3-[4-[2-hydroxypentadecyl(2-methylpentadecyl)amino]butyl]piperazine-2,5-dione;3-[4-[bis(2-hydroxypentadecyl)amino]butyl]-6-[4-[2-hydroxypentadecyl(2-methylpentadecyl)amino]butyl]piperazine-2,5-dione;6-[4-[bis(2-hydroxytetradecyl)amino]butyl]-3-[4-[2-hydroxypropyl(2-methyltetradecyl)amino]butyl]-1-(2-hydroxytetradecyl)piperazine-2,5-dione?
The InChIKey is ACKLMTKWXDESPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H176N4O6.C73H146N4O5.C72H144N4O6/c1-7-12-17-22-27-32-37-42-47-52-57-66-80(6)75-90(76-81(93)67-58-53-48-43-38-33-28-23-18-13-8-2)73-64-62-71-85-88(98)92(79-84(96)70-61-56-51-46-41-36-31-26-21-16-11-5)86(87(97)89-85)72-63-65-74-91(77-82(94)68-59-54-49-44-39-34-29-24-19-14-9-3)78-83(95)69-60-55-50-45-40-35-30-25-20-15-10-4;1-6-10-14-18-22-26-30-34-38-42-46-54-66(5)62-76(63-67(78)55-47-43-39-35-31-27-23-19-15-11-7-2)60-52-50-58-70-72(81)75-71(73(82)74-70)59-51-53-61-77(64-68(79)56-48-44-40-36-32-28-24-20-16-12-8-3)65-69(80)57-49-45-41-37-33-29-25-21-17-13-9-4;1-7-11-15-19-23-27-31-35-39-43-51-64(5)59-74(60-65(6)77)57-49-47-55-69-72(82)76(63-68(80)54-46-42-38-34-30-26-22-18-14-10-4)70(71(81)73-69)56-48-50-58-75(61-66(78)52-44-40-36-32-28-24-20-16-12-8-2)62-67(79)53-45-41-37-33-29-25-21-17-13-9-3/h80-86,93-96H,7-79H2,1-6H3,(H,89,97);66-71,78-80H,6-65H2,1-5H3,(H,74,82)(H,75,81);64-70,77-80H,7-63H2,1-6H3,(H,73,81).
What are the key properties of 6-[4-[bis(2-hydroxypentadecyl)amino]butyl]-1-(2-hydroxypentadecyl)-3-[4-[2-hydroxypentadecyl(2-methylpentadecyl)amino]butyl]piperazine-2,5-dione;3-[4-[bis(2-hydroxypentadecyl)amino]butyl]-6-[4-[2-hydroxypentadecyl(2-methylpentadecyl)amino]butyl]piperazine-2,5-dione;6-[4-[bis(2-hydroxytetradecyl)amino]butyl]-3-[4-[2-hydroxypropyl(2-methyltetradecyl)amino]butyl]-1-(2-hydroxytetradecyl)piperazine-2,5-dione?
6-[4-[bis(2-hydroxypentadecyl)amino]butyl]-1-(2-hydroxypentadecyl)-3-[4-[2-hydroxypentadecyl(2-methylpentadecyl)amino]butyl]piperazine-2,5-dione;3-[4-[bis(2-hydroxypentadecyl)amino]butyl]-6-[4-[2-hydroxypentadecyl(2-methylpentadecyl)amino]butyl]piperazine-2,5-dione;6-[4-[bis(2-hydroxytetradecyl)amino]butyl]-3-[4-[2-hydroxypropyl(2-methyltetradecyl)amino]butyl]-1-(2-hydroxytetradecyl)piperazine-2,5-dione has a molecular weight of 3708.36 g/mol, XLogP of 61.62, 210 rotatable bonds, 15 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[bis(2-hydroxypentadecyl)amino]butyl]-1-(2-hydroxypentadecyl)-3-[4-[2-hydroxypentadecyl(2-methylpentadecyl)amino]butyl]piperazine-2,5-dione;3-[4-[bis(2-hydroxypentadecyl)amino]butyl]-6-[4-[2-hydroxypentadecyl(2-methylpentadecyl)amino]butyl]piperazine-2,5-dione;6-[4-[bis(2-hydroxytetradecyl)amino]butyl]-3-[4-[2-hydroxypropyl(2-methyltetradecyl)amino]butyl]-1-(2-hydroxytetradecyl)piperazine-2,5-dione is sourced from PubChem (CID 157070862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).