2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;2-[di(nonyl)amino]-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone

C244H492N20O8 — CID 161299908

IUPAC2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;2-[di(nonyl)amino]-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCC)CCN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCCCCN(CCCCCCCCCCCC)CCN(CCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCCCCN(CCCCCCCCCCCC)CCN(CCCCCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCCCCN(CCN(CCCCCCCCC)CCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCC)CCCCCCCCC)CC1
InChIInChI=1S/C64H129N5O2.2C61H123N5O2.C58H117N5O2/c1-6-11-16-21-26-29-32-37-40-45-50-65(51-46-41-38-33-30-27-22-17-12-7-2)55-56-67(54-49-44-39-34-31-28-23-18-13-8-3)62-64(71)69-59-57-68(58-60-69)63(70)61-66(52-47-42-35-24-19-14-9-4)53-48-43-36-25-20-15-10-5;1-6-11-16-21-26-28-30-35-37-42-47-62(48-43-38-36-31-29-27-22-17-12-7-2)52-53-64(51-46-41-34-25-20-15-10-5)59-61(68)66-56-54-65(55-57-66)60(67)58-63(49-44-39-32-23-18-13-8-3)50-45-40-33-24-19-14-9-4;1-6-11-16-21-26-28-30-35-40-44-49-63(50-45-41-36-31-29-27-22-17-12-7-2)58-60(67)65-54-56-66(57-55-65)61(68)59-64(51-46-39-34-25-20-15-10-5)53-52-62(47-42-37-32-23-18-13-8-3)48-43-38-33-24-19-14-9-4;1-6-11-16-21-26-27-28-33-38-43-48-61(50-49-59(44-39-34-29-22-17-12-7-2)45-40-35-30-23-18-13-8-3)56-58(65)63-53-51-62(52-54-63)57(64)55-60(46-41-36-31-24-19-14-9-4)47-42-37-32-25-20-15-10-5/h6-62H2,1-5H3;2*6-59H2,1-5H3;6-56H2,1-5H3
InChIKeyVHLVKVWGDHMYPD-UHFFFAOYSA-N
MW3834.75 g/mol
LogP66.63
Rot. Bonds212

About 2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;2-[di(nonyl)amino]-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone

2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;2-[di(nonyl)amino]-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone (PubChem CID 161299908) has the molecular formula C244H492N20O8 and a molecular weight of 3834.75 g/mol. Its IUPAC name is 2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;2-[di(nonyl)amino]-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;2-[di(nonyl)amino]-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone
PubChem CID161299908
Molecular FormulaC244H492N20O8
Molecular Weight3834.75 g/mol
Exact Mass3831.87
IUPAC Name2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;2-[di(nonyl)amino]-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCC)CCN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCCCCN(CCCCCCCCCCCC)CCN(CCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCCCCN(CCCCCCCCCCCC)CCN(CCCCCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCCCCN(CCN(CCCCCCCCC)CCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCC)CCCCCCCCC)CC1
InChIInChI=1S/C64H129N5O2.2C61H123N5O2.C58H117N5O2/c1-6-11-16-21-26-29-32-37-40-45-50-65(51-46-41-38-33-30-27-22-17-12-7-2)55-56-67(54-49-44-39-34-31-28-23-18-13-8-3)62-64(71)69-59-57-68(58-60-69)63(70)61-66(52-47-42-35-24-19-14-9-4)53-48-43-36-25-20-15-10-5;1-6-11-16-21-26-28-30-35-37-42-47-62(48-43-38-36-31-29-27-22-17-12-7-2)52-53-64(51-46-41-34-25-20-15-10-5)59-61(68)66-56-54-65(55-57-66)60(67)58-63(49-44-39-32-23-18-13-8-3)50-45-40-33-24-19-14-9-4;1-6-11-16-21-26-28-30-35-40-44-49-63(50-45-41-36-31-29-27-22-17-12-7-2)58-60(67)65-54-56-66(57-55-65)61(68)59-64(51-46-39-34-25-20-15-10-5)53-52-62(47-42-37-32-23-18-13-8-3)48-43-38-33-24-19-14-9-4;1-6-11-16-21-26-27-28-33-38-43-48-61(50-49-59(44-39-34-29-22-17-12-7-2)45-40-35-30-23-18-13-8-3)56-58(65)63-53-51-62(52-54-63)57(64)55-60(46-41-36-31-24-19-14-9-4)47-42-37-32-25-20-15-10-5/h6-62H2,1-5H3;2*6-59H2,1-5H3;6-56H2,1-5H3
InChIKeyVHLVKVWGDHMYPD-UHFFFAOYSA-N
XLogP66.63
TPSA201.36 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds212
Heavy Atoms272
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003834.75
LogP ≤ 566.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;2-[di(nonyl)amino]-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methane;nonakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 157103397
2-[Di(nonyl)amino]-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]ethyl]piperidin-1-yl]ethanone;3-[di(nonyl)amino]-1-[4-[3-[2-[di(nonyl)amino]ethyl-nonylamino]propanoyl]piperazin-1-yl]propan-1-one;1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(tetradecyl)amino]ethanone;2-[2-[di(nonyl)amino]ethyl-nonylamino]-1-[4-[2-[di(nonyl)amino]ethyl]piperidin-1-yl]ethanone
CID 158555530
2-(Didodecylamino)-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone
CID 158630040
2-(didodecylamino)-1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]ethyl]piperazin-1-yl]ethanone;2-(didodecylamino)-N-[2-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N-dodecylacetamide;2-[2-(didodecylamino)ethyl-dodecylamino]-1-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethanone;2-[di(nonyl)amino]-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone
CID 159361623
1-(4-Butylpiperazin-1-yl)ethanone;1-(4-ethylpiperazin-1-yl)ethanone;1-(4-heptylpiperazin-1-yl)ethanone;1-(4-hexylpiperazin-1-yl)ethanone;1-(4-pentylpiperazin-1-yl)ethanone;1-(4-propylpiperazin-1-yl)ethanone
CID 160429296
Methane;heptakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 160808307
CID 161893313
CID 161893313
2-[[2-[4-[3-[4-[2-[bis[2-(dioctylamino)-2-oxoethyl]amino]-2-oxoethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]propyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]acetyl]-[2-(dioctylamino)-2-oxoethyl]amino]-N,N-dioctylacetamide tetrabromide
CID 9989184
2-[[2-[4-[3-[4-[2-[bis[2-(dioctylamino)-2-oxoethyl]amino]-2-oxoethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]propyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]acetyl]-[2-(dioctylamino)-2-oxoethyl]amino]-N,N-dioctylacetamide
CID 9989185
2-[4-[6-[4-[2-(dioctylamino)-2-oxoethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]hexyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]-N,N-dioctylacetamide tetrabromide
CID 10418826
2-[4-[6-[4-[2-(dioctylamino)-2-oxoethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]hexyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]-N,N-dioctylacetamide
CID 10418827
2-[4-[2-(dioctylamino)-2-oxoethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]-N,N-dioctylacetamide
CID 15172594

Frequently Asked Questions

What is the IUPAC name of 2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;2-[di(nonyl)amino]-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;2-[di(nonyl)amino]-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone (CID 161299908) is 2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;2-[di(nonyl)amino]-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;2-[di(nonyl)amino]-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;2-[di(nonyl)amino]-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone is CCCCCCCCCCCCN(CCCCCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCC)CCN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCCCCN(CCCCCCCCCCCC)CCN(CCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCCCCN(CCCCCCCCCCCC)CCN(CCCCCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCCCCN(CCN(CCCCCCCCC)CCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCC)CCCCCCCCC)CC1.
What is the InChIKey of 2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;2-[di(nonyl)amino]-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone?
The InChIKey is VHLVKVWGDHMYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H129N5O2.2C61H123N5O2.C58H117N5O2/c1-6-11-16-21-26-29-32-37-40-45-50-65(51-46-41-38-33-30-27-22-17-12-7-2)55-56-67(54-49-44-39-34-31-28-23-18-13-8-3)62-64(71)69-59-57-68(58-60-69)63(70)61-66(52-47-42-35-24-19-14-9-4)53-48-43-36-25-20-15-10-5;1-6-11-16-21-26-28-30-35-37-42-47-62(48-43-38-36-31-29-27-22-17-12-7-2)52-53-64(51-46-41-34-25-20-15-10-5)59-61(68)66-56-54-65(55-57-66)60(67)58-63(49-44-39-32-23-18-13-8-3)50-45-40-33-24-19-14-9-4;1-6-11-16-21-26-28-30-35-40-44-49-63(50-45-41-36-31-29-27-22-17-12-7-2)58-60(67)65-54-56-66(57-55-65)61(68)59-64(51-46-39-34-25-20-15-10-5)53-52-62(47-42-37-32-23-18-13-8-3)48-43-38-33-24-19-14-9-4;1-6-11-16-21-26-27-28-33-38-43-48-61(50-49-59(44-39-34-29-22-17-12-7-2)45-40-35-30-23-18-13-8-3)56-58(65)63-53-51-62(52-54-63)57(64)55-60(46-41-36-31-24-19-14-9-4)47-42-37-32-25-20-15-10-5/h6-62H2,1-5H3;2*6-59H2,1-5H3;6-56H2,1-5H3.
What are the key properties of 2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;2-[di(nonyl)amino]-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone?
2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;2-[di(nonyl)amino]-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone has a molecular weight of 3834.75 g/mol, XLogP of 66.63, 212 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;2-[di(nonyl)amino]-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 161299908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).