3-[4-(didodecylamino)butyl]-6-[4-[dodecyl(ethyl)amino]butyl]piperazine-2,5-dione;3-[4-[2-hydroxydodecyl(2-hydroxypropyl)amino]butyl]-6-(1-hydroxyethyl)piperazine-2,5-dione;3-[4-[2-hydroxypropyl(undecyl)amino]butyl]piperazine-2,5-dione;methyl 3-[[3-(dodecylamino)-3-oxopropyl]-[4-[5-[4-[[3-(dodecylamino)-3-oxopropyl]-(3-oxohexadecyl)amino]butyl]-3,6-dioxopiperazin-2-yl]butyl]amino]propanoate

C159H310N16O17 — CID 160717049

IUPAC3-[4-(didodecylamino)butyl]-6-[4-[dodecyl(ethyl)amino]butyl]piperazine-2,5-dione;3-[4-[2-hydroxydodecyl(2-hydroxypropyl)amino]butyl]-6-(1-hydroxyethyl)piperazine-2,5-dione;3-[4-[2-hydroxypropyl(undecyl)amino]butyl]piperazine-2,5-dione;methyl 3-[[3-(dodecylamino)-3-oxopropyl]-[4-[5-[4-[[3-(dodecylamino)-3-oxopropyl]-(3-oxohexadecyl)amino]butyl]-3,6-dioxopiperazin-2-yl]butyl]amino]propanoate
SMILESCCCCCCCCCCC(O)CN(CCCCC1NC(=O)C(C(C)O)NC1=O)CC(C)O.CCCCCCCCCCCCCC(=O)CCN(CCCCC1NC(=O)C(CCCCN(CCC(=O)NCCCCCCCCCCCC)CCC(=O)OC)NC1=O)CCC(=O)NCCCCCCCCCCCC.CCCCCCCCCCCCN(CC)CCCCC1NC(=O)C(CCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC)NC1=O.CCCCCCCCCCCN(CCCCC1NC(=O)CNC1=O)CC(C)O
InChIInChI=1S/C62H118N6O7.C50H100N4O2.C25H49N3O5.C22H43N3O3/c1-5-8-11-14-17-20-23-24-27-30-33-40-55(69)43-51-67(52-44-58(70)63-47-36-31-28-25-21-18-15-12-9-6-2)49-38-34-41-56-61(73)66-57(62(74)65-56)42-35-39-50-68(54-46-60(72)75-4)53-45-59(71)64-48-37-32-29-26-22-19-16-13-10-7-3;1-5-9-12-15-18-21-24-27-30-35-42-53(8-4)43-38-33-40-47-49(55)52-48(50(56)51-47)41-34-39-46-54(44-36-31-28-25-22-19-16-13-10-6-2)45-37-32-29-26-23-20-17-14-11-7-3;1-4-5-6-7-8-9-10-11-14-21(31)18-28(17-19(2)29)16-13-12-15-22-24(32)27-23(20(3)30)25(33)26-22;1-3-4-5-6-7-8-9-10-12-15-25(18-19(2)26)16-13-11-14-20-22(28)23-17-21(27)24-20/h56-57H,5-54H2,1-4H3,(H,63,70)(H,64,71)(H,65,74)(H,66,73);47-48H,5-46H2,1-4H3,(H,51,56)(H,52,55);19-23,29-31H,4-18H2,1-3H3,(H,26,33)(H,27,32);19-20,26H,3-18H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyRSPMOAKDNMOIBU-UHFFFAOYSA-N
MW2718.32 g/mol
LogP31.77
Rot. Bonds136

About 3-[4-(didodecylamino)butyl]-6-[4-[dodecyl(ethyl)amino]butyl]piperazine-2,5-dione;3-[4-[2-hydroxydodecyl(2-hydroxypropyl)amino]butyl]-6-(1-hydroxyethyl)piperazine-2,5-dione;3-[4-[2-hydroxypropyl(undecyl)amino]butyl]piperazine-2,5-dione;methyl 3-[[3-(dodecylamino)-3-oxopropyl]-[4-[5-[4-[[3-(dodecylamino)-3-oxopropyl]-(3-oxohexadecyl)amino]butyl]-3,6-dioxopiperazin-2-yl]butyl]amino]propanoate

3-[4-(didodecylamino)butyl]-6-[4-[dodecyl(ethyl)amino]butyl]piperazine-2,5-dione;3-[4-[2-hydroxydodecyl(2-hydroxypropyl)amino]butyl]-6-(1-hydroxyethyl)piperazine-2,5-dione;3-[4-[2-hydroxypropyl(undecyl)amino]butyl]piperazine-2,5-dione;methyl 3-[[3-(dodecylamino)-3-oxopropyl]-[4-[5-[4-[[3-(dodecylamino)-3-oxopropyl]-(3-oxohexadecyl)amino]butyl]-3,6-dioxopiperazin-2-yl]butyl]amino]propanoate (PubChem CID 160717049) has the molecular formula C159H310N16O17 and a molecular weight of 2718.32 g/mol. Its IUPAC name is 3-[4-(didodecylamino)butyl]-6-[4-[dodecyl(ethyl)amino]butyl]piperazine-2,5-dione;3-[4-[2-hydroxydodecyl(2-hydroxypropyl)amino]butyl]-6-(1-hydroxyethyl)piperazine-2,5-dione;3-[4-[2-hydroxypropyl(undecyl)amino]butyl]piperazine-2,5-dione;methyl 3-[[3-(dodecylamino)-3-oxopropyl]-[4-[5-[4-[[3-(dodecylamino)-3-oxopropyl]-(3-oxohexadecyl)amino]butyl]-3,6-dioxopiperazin-2-yl]butyl]amino]propanoate.

Molecular Properties

Compound Name3-[4-(didodecylamino)butyl]-6-[4-[dodecyl(ethyl)amino]butyl]piperazine-2,5-dione;3-[4-[2-hydroxydodecyl(2-hydroxypropyl)amino]butyl]-6-(1-hydroxyethyl)piperazine-2,5-dione;3-[4-[2-hydroxypropyl(undecyl)amino]butyl]piperazine-2,5-dione;methyl 3-[[3-(dodecylamino)-3-oxopropyl]-[4-[5-[4-[[3-(dodecylamino)-3-oxopropyl]-(3-oxohexadecyl)amino]butyl]-3,6-dioxopiperazin-2-yl]butyl]amino]propanoate
PubChem CID160717049
Molecular FormulaC159H310N16O17
Molecular Weight2718.32 g/mol
Exact Mass2716.39
IUPAC Name3-[4-(didodecylamino)butyl]-6-[4-[dodecyl(ethyl)amino]butyl]piperazine-2,5-dione;3-[4-[2-hydroxydodecyl(2-hydroxypropyl)amino]butyl]-6-(1-hydroxyethyl)piperazine-2,5-dione;3-[4-[2-hydroxypropyl(undecyl)amino]butyl]piperazine-2,5-dione;methyl 3-[[3-(dodecylamino)-3-oxopropyl]-[4-[5-[4-[[3-(dodecylamino)-3-oxopropyl]-(3-oxohexadecyl)amino]butyl]-3,6-dioxopiperazin-2-yl]butyl]amino]propanoate
SMILESCCCCCCCCCCC(O)CN(CCCCC1NC(=O)C(C(C)O)NC1=O)CC(C)O.CCCCCCCCCCCCCC(=O)CCN(CCCCC1NC(=O)C(CCCCN(CCC(=O)NCCCCCCCCCCCC)CCC(=O)OC)NC1=O)CCC(=O)NCCCCCCCCCCCC.CCCCCCCCCCCCN(CC)CCCCC1NC(=O)C(CCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC)NC1=O.CCCCCCCCCCCN(CCCCC1NC(=O)CNC1=O)CC(C)O
InChIInChI=1S/C62H118N6O7.C50H100N4O2.C25H49N3O5.C22H43N3O3/c1-5-8-11-14-17-20-23-24-27-30-33-40-55(69)43-51-67(52-44-58(70)63-47-36-31-28-25-21-18-15-12-9-6-2)49-38-34-41-56-61(73)66-57(62(74)65-56)42-35-39-50-68(54-46-60(72)75-4)53-45-59(71)64-48-37-32-29-26-22-19-16-13-10-7-3;1-5-9-12-15-18-21-24-27-30-35-42-53(8-4)43-38-33-40-47-49(55)52-48(50(56)51-47)41-34-39-46-54(44-36-31-28-25-22-19-16-13-10-6-2)45-37-32-29-26-23-20-17-14-11-7-3;1-4-5-6-7-8-9-10-11-14-21(31)18-28(17-19(2)29)16-13-12-15-22-24(32)27-23(20(3)30)25(33)26-22;1-3-4-5-6-7-8-9-10-12-15-25(18-19(2)26)16-13-11-14-20-22(28)23-17-21(27)24-20/h56-57H,5-54H2,1-4H3,(H,63,70)(H,64,71)(H,65,74)(H,66,73);47-48H,5-46H2,1-4H3,(H,51,56)(H,52,55);19-23,29-31H,4-18H2,1-3H3,(H,26,33)(H,27,32);19-20,26H,3-18H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyRSPMOAKDNMOIBU-UHFFFAOYSA-N
XLogP31.77
TPSA434.73 Ų
H-Bond Donors14
H-Bond Acceptors23
Rotatable Bonds136
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002718.32
LogP ≤ 531.77
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 3-[4-(didodecylamino)butyl]-6-[4-[dodecyl(ethyl)amino]butyl]piperazine-2,5-dione;3-[4-[2-hydroxydodecyl(2-hydroxypropyl)amino]butyl]-6-(1-hydroxyethyl)piperazine-2,5-dione;3-[4-[2-hydroxypropyl(undecyl)amino]butyl]piperazine-2,5-dione;methyl 3-[[3-(dodecylamino)-3-oxopropyl]-[4-[5-[4-[[3-(dodecylamino)-3-oxopropyl]-(3-oxohexadecyl)amino]butyl]-3,6-dioxopiperazin-2-yl]butyl]amino]propanoate with MolForge

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Related Compounds

(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
N-[4-[bis(2-hydroxydodecyl)amino]butyl]-3-[4-[bis(2-hydroxydodecyl)amino]butyl-[3-[3-[bis(2-hydroxydodecyl)amino]propylamino]-3-oxopropyl]amino]propanamide
CID 176935587
3-[4-[bis(2-hydroxypropyl)amino]butyl]-6-(1-hydroxyethyl)piperazine-2,5-dione
CID 147749001
3-[(8S,11R,17R,20S)-5,8-bis(2-amino-2-oxoethyl)-23-(3-hydroxydodecyl)-17,20-bis[(1R)-1-hydroxyethyl]-11-methyl-3,6,9,12,15,18,21,24,27,31-decaoxo-2-(8-oxotetradecyl)-1,4,7,10,13,16,19,22,25,28-decazacyclohentriacont-14-yl]-2-hydroxypropanamide
CID 176507573
2-[5-[2-[4-[bis(2-hydroxydecyl)amino]butanoyloxy]ethyl]-3,6-dioxopiperazin-2-yl]ethyl 4-[bis(2-hydroxydecyl)amino]butanoate
CID 153315865
undecyl 3-[2-[3-[2-[[3-[2-[[2-(dodecylamino)-2-oxoethyl]-(2-hydroxytetradecyl)amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]ethyl-tetradecylamino]propanoate
CID 168851315
methyl 3-[4-[5-[4-[bis[3-(methylamino)-3-oxopropyl]amino]butyl]-3,6-dioxopiperazin-2-yl]butyl-[3-(methylamino)-3-oxopropyl]amino]propanoate
CID 134243382
3-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-(3-oxohexadecyl)amino]ethyl-(6-oxononadecyl)amino]-N-dodecylpropanamide
CID 58498189
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
(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
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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(didodecylamino)butyl]-6-[4-[dodecyl(ethyl)amino]butyl]piperazine-2,5-dione;3-[4-[2-hydroxydodecyl(2-hydroxypropyl)amino]butyl]-6-(1-hydroxyethyl)piperazine-2,5-dione;3-[4-[2-hydroxypropyl(undecyl)amino]butyl]piperazine-2,5-dione;methyl 3-[[3-(dodecylamino)-3-oxopropyl]-[4-[5-[4-[[3-(dodecylamino)-3-oxopropyl]-(3-oxohexadecyl)amino]butyl]-3,6-dioxopiperazin-2-yl]butyl]amino]propanoate?
The IUPAC name of 3-[4-(didodecylamino)butyl]-6-[4-[dodecyl(ethyl)amino]butyl]piperazine-2,5-dione;3-[4-[2-hydroxydodecyl(2-hydroxypropyl)amino]butyl]-6-(1-hydroxyethyl)piperazine-2,5-dione;3-[4-[2-hydroxypropyl(undecyl)amino]butyl]piperazine-2,5-dione;methyl 3-[[3-(dodecylamino)-3-oxopropyl]-[4-[5-[4-[[3-(dodecylamino)-3-oxopropyl]-(3-oxohexadecyl)amino]butyl]-3,6-dioxopiperazin-2-yl]butyl]amino]propanoate (CID 160717049) is 3-[4-(didodecylamino)butyl]-6-[4-[dodecyl(ethyl)amino]butyl]piperazine-2,5-dione;3-[4-[2-hydroxydodecyl(2-hydroxypropyl)amino]butyl]-6-(1-hydroxyethyl)piperazine-2,5-dione;3-[4-[2-hydroxypropyl(undecyl)amino]butyl]piperazine-2,5-dione;methyl 3-[[3-(dodecylamino)-3-oxopropyl]-[4-[5-[4-[[3-(dodecylamino)-3-oxopropyl]-(3-oxohexadecyl)amino]butyl]-3,6-dioxopiperazin-2-yl]butyl]amino]propanoate.
What is the SMILES notation for 3-[4-(didodecylamino)butyl]-6-[4-[dodecyl(ethyl)amino]butyl]piperazine-2,5-dione;3-[4-[2-hydroxydodecyl(2-hydroxypropyl)amino]butyl]-6-(1-hydroxyethyl)piperazine-2,5-dione;3-[4-[2-hydroxypropyl(undecyl)amino]butyl]piperazine-2,5-dione;methyl 3-[[3-(dodecylamino)-3-oxopropyl]-[4-[5-[4-[[3-(dodecylamino)-3-oxopropyl]-(3-oxohexadecyl)amino]butyl]-3,6-dioxopiperazin-2-yl]butyl]amino]propanoate?
The canonical SMILES for 3-[4-(didodecylamino)butyl]-6-[4-[dodecyl(ethyl)amino]butyl]piperazine-2,5-dione;3-[4-[2-hydroxydodecyl(2-hydroxypropyl)amino]butyl]-6-(1-hydroxyethyl)piperazine-2,5-dione;3-[4-[2-hydroxypropyl(undecyl)amino]butyl]piperazine-2,5-dione;methyl 3-[[3-(dodecylamino)-3-oxopropyl]-[4-[5-[4-[[3-(dodecylamino)-3-oxopropyl]-(3-oxohexadecyl)amino]butyl]-3,6-dioxopiperazin-2-yl]butyl]amino]propanoate is CCCCCCCCCCC(O)CN(CCCCC1NC(=O)C(C(C)O)NC1=O)CC(C)O.CCCCCCCCCCCCCC(=O)CCN(CCCCC1NC(=O)C(CCCCN(CCC(=O)NCCCCCCCCCCCC)CCC(=O)OC)NC1=O)CCC(=O)NCCCCCCCCCCCC.CCCCCCCCCCCCN(CC)CCCCC1NC(=O)C(CCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC)NC1=O.CCCCCCCCCCCN(CCCCC1NC(=O)CNC1=O)CC(C)O.
What is the InChIKey of 3-[4-(didodecylamino)butyl]-6-[4-[dodecyl(ethyl)amino]butyl]piperazine-2,5-dione;3-[4-[2-hydroxydodecyl(2-hydroxypropyl)amino]butyl]-6-(1-hydroxyethyl)piperazine-2,5-dione;3-[4-[2-hydroxypropyl(undecyl)amino]butyl]piperazine-2,5-dione;methyl 3-[[3-(dodecylamino)-3-oxopropyl]-[4-[5-[4-[[3-(dodecylamino)-3-oxopropyl]-(3-oxohexadecyl)amino]butyl]-3,6-dioxopiperazin-2-yl]butyl]amino]propanoate?
The InChIKey is RSPMOAKDNMOIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H118N6O7.C50H100N4O2.C25H49N3O5.C22H43N3O3/c1-5-8-11-14-17-20-23-24-27-30-33-40-55(69)43-51-67(52-44-58(70)63-47-36-31-28-25-21-18-15-12-9-6-2)49-38-34-41-56-61(73)66-57(62(74)65-56)42-35-39-50-68(54-46-60(72)75-4)53-45-59(71)64-48-37-32-29-26-22-19-16-13-10-7-3;1-5-9-12-15-18-21-24-27-30-35-42-53(8-4)43-38-33-40-47-49(55)52-48(50(56)51-47)41-34-39-46-54(44-36-31-28-25-22-19-16-13-10-6-2)45-37-32-29-26-23-20-17-14-11-7-3;1-4-5-6-7-8-9-10-11-14-21(31)18-28(17-19(2)29)16-13-12-15-22-24(32)27-23(20(3)30)25(33)26-22;1-3-4-5-6-7-8-9-10-12-15-25(18-19(2)26)16-13-11-14-20-22(28)23-17-21(27)24-20/h56-57H,5-54H2,1-4H3,(H,63,70)(H,64,71)(H,65,74)(H,66,73);47-48H,5-46H2,1-4H3,(H,51,56)(H,52,55);19-23,29-31H,4-18H2,1-3H3,(H,26,33)(H,27,32);19-20,26H,3-18H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of 3-[4-(didodecylamino)butyl]-6-[4-[dodecyl(ethyl)amino]butyl]piperazine-2,5-dione;3-[4-[2-hydroxydodecyl(2-hydroxypropyl)amino]butyl]-6-(1-hydroxyethyl)piperazine-2,5-dione;3-[4-[2-hydroxypropyl(undecyl)amino]butyl]piperazine-2,5-dione;methyl 3-[[3-(dodecylamino)-3-oxopropyl]-[4-[5-[4-[[3-(dodecylamino)-3-oxopropyl]-(3-oxohexadecyl)amino]butyl]-3,6-dioxopiperazin-2-yl]butyl]amino]propanoate?
3-[4-(didodecylamino)butyl]-6-[4-[dodecyl(ethyl)amino]butyl]piperazine-2,5-dione;3-[4-[2-hydroxydodecyl(2-hydroxypropyl)amino]butyl]-6-(1-hydroxyethyl)piperazine-2,5-dione;3-[4-[2-hydroxypropyl(undecyl)amino]butyl]piperazine-2,5-dione;methyl 3-[[3-(dodecylamino)-3-oxopropyl]-[4-[5-[4-[[3-(dodecylamino)-3-oxopropyl]-(3-oxohexadecyl)amino]butyl]-3,6-dioxopiperazin-2-yl]butyl]amino]propanoate has a molecular weight of 2718.32 g/mol, XLogP of 31.77, 136 rotatable bonds, 14 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(didodecylamino)butyl]-6-[4-[dodecyl(ethyl)amino]butyl]piperazine-2,5-dione;3-[4-[2-hydroxydodecyl(2-hydroxypropyl)amino]butyl]-6-(1-hydroxyethyl)piperazine-2,5-dione;3-[4-[2-hydroxypropyl(undecyl)amino]butyl]piperazine-2,5-dione;methyl 3-[[3-(dodecylamino)-3-oxopropyl]-[4-[5-[4-[[3-(dodecylamino)-3-oxopropyl]-(3-oxohexadecyl)amino]butyl]-3,6-dioxopiperazin-2-yl]butyl]amino]propanoate is sourced from PubChem (CID 160717049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).