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

C234H474N18O6 — CID 158555530

IUPAC2-[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
SMILESCCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCC)CCN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCN(CCCCCCCCC)CCC(=O)N1CCN(C(=O)CCN(CCCCCCCCC)CCN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCN(CCCCCCCCC)CCC1CCN(C(=O)CN(CCCCCCCCC)CCN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCN(CCCCCCCCC)CCN(CCCCCCCCC)CCC1CCN(C(=O)CN(CCCCCCCCC)CCCCCCCCC)CC1
InChIInChI=1S/C65H131N5O2.C57H115N5O2.2C56H114N4O/c1-6-11-16-21-26-28-30-32-34-39-44-48-53-67(54-49-45-40-35-33-31-29-27-22-17-12-7-2)62-64(71)69-58-60-70(61-59-69)65(72)63-68(55-50-43-38-25-20-15-10-5)57-56-66(51-46-41-36-23-18-13-8-3)52-47-42-37-24-19-14-9-4;1-6-11-16-21-26-31-36-43-58(44-37-32-27-22-17-12-7-2)48-41-56(63)61-52-54-62(55-53-61)57(64)42-49-60(47-40-35-30-25-20-15-10-5)51-50-59(45-38-33-28-23-18-13-8-3)46-39-34-29-24-19-14-9-4;1-6-11-16-21-26-31-36-44-57(45-37-32-27-22-17-12-7-2)52-53-58(46-38-33-28-23-18-13-8-3)49-41-55-42-50-60(51-43-55)56(61)54-59(47-39-34-29-24-19-14-9-4)48-40-35-30-25-20-15-10-5;1-6-11-16-21-26-31-36-44-57(45-37-32-27-22-17-12-7-2)49-41-55-42-50-60(51-43-55)56(61)54-59(48-40-35-30-25-20-15-10-5)53-52-58(46-38-33-28-23-18-13-8-3)47-39-34-29-24-19-14-9-4/h6-63H2,1-5H3;6-55H2,1-5H3;2*55H,6-54H2,1-5H3
InChIKeyHQGAQOHJDPEBTI-UHFFFAOYSA-N
MW3636.49 g/mol
LogP65.86
Rot. Bonds202

About 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

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 (PubChem CID 158555530) has the molecular formula C234H474N18O6 and a molecular weight of 3636.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID158555530
Molecular FormulaC234H474N18O6
Molecular Weight3636.49 g/mol
Exact Mass3633.73
IUPAC Name2-[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
SMILESCCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCC)CCN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCN(CCCCCCCCC)CCC(=O)N1CCN(C(=O)CCN(CCCCCCCCC)CCN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCN(CCCCCCCCC)CCC1CCN(C(=O)CN(CCCCCCCCC)CCN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCN(CCCCCCCCC)CCN(CCCCCCCCC)CCC1CCN(C(=O)CN(CCCCCCCCC)CCCCCCCCC)CC1
InChIInChI=1S/C65H131N5O2.C57H115N5O2.2C56H114N4O/c1-6-11-16-21-26-28-30-32-34-39-44-48-53-67(54-49-45-40-35-33-31-29-27-22-17-12-7-2)62-64(71)69-58-60-70(61-59-69)65(72)63-68(55-50-43-38-25-20-15-10-5)57-56-66(51-46-41-36-23-18-13-8-3)52-47-42-37-24-19-14-9-4;1-6-11-16-21-26-31-36-43-58(44-37-32-27-22-17-12-7-2)48-41-56(63)61-52-54-62(55-53-61)57(64)42-49-60(47-40-35-30-25-20-15-10-5)51-50-59(45-38-33-28-23-18-13-8-3)46-39-34-29-24-19-14-9-4;1-6-11-16-21-26-31-36-44-57(45-37-32-27-22-17-12-7-2)52-53-58(46-38-33-28-23-18-13-8-3)49-41-55-42-50-60(51-43-55)56(61)54-59(47-39-34-29-24-19-14-9-4)48-40-35-30-25-20-15-10-5;1-6-11-16-21-26-31-36-44-57(45-37-32-27-22-17-12-7-2)49-41-55-42-50-60(51-43-55)56(61)54-59(48-40-35-30-25-20-15-10-5)53-52-58(46-38-33-28-23-18-13-8-3)47-39-34-29-24-19-14-9-4/h6-63H2,1-5H3;6-55H2,1-5H3;2*55H,6-54H2,1-5H3
InChIKeyHQGAQOHJDPEBTI-UHFFFAOYSA-N
XLogP65.86
TPSA160.74 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds202
Heavy Atoms258
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003636.49
LogP ≤ 565.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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

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Related Compounds

1-[4-[3-[1-[3-[4-[3-(1-Methylpiperidin-4-yl)propyl]piperidin-1-yl]propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]butan-1-one
CID 90441081
Carbanide;bis(1-[4-[(1-propanoylpiperidin-4-yl)methyl]piperidin-1-yl]propan-1-one);tris(yttrium)
CID 157825019
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
Carbanide;1-[1-methyl-4-[(1-methyl-1-propanoylpiperidin-1-ium-4-yl)methyl]piperidin-1-ium-1-yl]propan-1-one;1-[4-[(1-propanoylpiperidin-4-yl)methyl]piperidin-1-yl]propan-1-one
CID 160592103
3-Amino-3-methyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;2-amino-2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;2-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;3-(dimethylamino)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 161058423
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
1-(4-Ethylpiperidin-1-yl)propan-1-one
CID 161769157
Ethane;3-(4-methylpiperazin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one;(1-methylpiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone;propane
CID 177974224
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
1,2-Bis[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]ethane-1,2-dione
CID 167804840

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CC(=O)N1CCN(C(=O)CN(CCCCCCCCC)CCN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCN(CCCCCCCCC)CCC(=O)N1CCN(C(=O)CCN(CCCCCCCCC)CCN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCN(CCCCCCCCC)CCC1CCN(C(=O)CN(CCCCCCCCC)CCN(CCCCCCCCC)CCCCCCCCC)CC1.CCCCCCCCCN(CCCCCCCCC)CCN(CCCCCCCCC)CCC1CCN(C(=O)CN(CCCCCCCCC)CCCCCCCCC)CC1.
What is the InChIKey of 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?
The InChIKey is HQGAQOHJDPEBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H131N5O2.C57H115N5O2.2C56H114N4O/c1-6-11-16-21-26-28-30-32-34-39-44-48-53-67(54-49-45-40-35-33-31-29-27-22-17-12-7-2)62-64(71)69-58-60-70(61-59-69)65(72)63-68(55-50-43-38-25-20-15-10-5)57-56-66(51-46-41-36-23-18-13-8-3)52-47-42-37-24-19-14-9-4;1-6-11-16-21-26-31-36-43-58(44-37-32-27-22-17-12-7-2)48-41-56(63)61-52-54-62(55-53-61)57(64)42-49-60(47-40-35-30-25-20-15-10-5)51-50-59(45-38-33-28-23-18-13-8-3)46-39-34-29-24-19-14-9-4;1-6-11-16-21-26-31-36-44-57(45-37-32-27-22-17-12-7-2)52-53-58(46-38-33-28-23-18-13-8-3)49-41-55-42-50-60(51-43-55)56(61)54-59(47-39-34-29-24-19-14-9-4)48-40-35-30-25-20-15-10-5;1-6-11-16-21-26-31-36-44-57(45-37-32-27-22-17-12-7-2)49-41-55-42-50-60(51-43-55)56(61)54-59(48-40-35-30-25-20-15-10-5)53-52-58(46-38-33-28-23-18-13-8-3)47-39-34-29-24-19-14-9-4/h6-63H2,1-5H3;6-55H2,1-5H3;2*55H,6-54H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 3636.49 g/mol, XLogP of 65.86, 202 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158555530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).