bis(1-decylpiperidin-3-one);bis(1-decylpiperidin-4-one);bis(1-nonylpiperidin-2-one);bis(1-nonylpiperidin-3-one)

C116H224N8O8 — CID 158401722

IUPACbis(1-decylpiperidin-3-one);bis(1-decylpiperidin-4-one);bis(1-nonylpiperidin-2-one);bis(1-nonylpiperidin-3-one)
SMILESCCCCCCCCCCN1CCC(=O)CC1.CCCCCCCCCCN1CCC(=O)CC1.CCCCCCCCCCN1CCCC(=O)C1.CCCCCCCCCCN1CCCC(=O)C1.CCCCCCCCCN1CCCC(=O)C1.CCCCCCCCCN1CCCC(=O)C1.CCCCCCCCCN1CCCCC1=O.CCCCCCCCCN1CCCCC1=O
InChIInChI=1S/4C15H29NO.4C14H27NO/c2*1-2-3-4-5-6-7-8-9-12-16-13-10-15(17)11-14-16;2*1-2-3-4-5-6-7-8-9-12-16-13-10-11-15(17)14-16;2*1-2-3-4-5-6-7-9-12-15-13-10-8-11-14(15)16;2*1-2-3-4-5-6-7-8-11-15-12-9-10-14(16)13-15/h4*2-14H2,1H3;4*2-13H2,1H3
InChIKeyGYEMDWXADLFQFL-UHFFFAOYSA-N
MW1859.12 g/mol
LogP29.47
Rot. Bonds68

About bis(1-decylpiperidin-3-one);bis(1-decylpiperidin-4-one);bis(1-nonylpiperidin-2-one);bis(1-nonylpiperidin-3-one)

bis(1-decylpiperidin-3-one);bis(1-decylpiperidin-4-one);bis(1-nonylpiperidin-2-one);bis(1-nonylpiperidin-3-one) (PubChem CID 158401722) has the molecular formula C116H224N8O8 and a molecular weight of 1859.12 g/mol. Its IUPAC name is bis(1-decylpiperidin-3-one);bis(1-decylpiperidin-4-one);bis(1-nonylpiperidin-2-one);bis(1-nonylpiperidin-3-one).

Molecular Properties

Compound Namebis(1-decylpiperidin-3-one);bis(1-decylpiperidin-4-one);bis(1-nonylpiperidin-2-one);bis(1-nonylpiperidin-3-one)
PubChem CID158401722
Molecular FormulaC116H224N8O8
Molecular Weight1859.12 g/mol
Exact Mass1857.74
IUPAC Namebis(1-decylpiperidin-3-one);bis(1-decylpiperidin-4-one);bis(1-nonylpiperidin-2-one);bis(1-nonylpiperidin-3-one)
SMILESCCCCCCCCCCN1CCC(=O)CC1.CCCCCCCCCCN1CCC(=O)CC1.CCCCCCCCCCN1CCCC(=O)C1.CCCCCCCCCCN1CCCC(=O)C1.CCCCCCCCCN1CCCC(=O)C1.CCCCCCCCCN1CCCC(=O)C1.CCCCCCCCCN1CCCCC1=O.CCCCCCCCCN1CCCCC1=O
InChIInChI=1S/4C15H29NO.4C14H27NO/c2*1-2-3-4-5-6-7-8-9-12-16-13-10-15(17)11-14-16;2*1-2-3-4-5-6-7-8-9-12-16-13-10-11-15(17)14-16;2*1-2-3-4-5-6-7-9-12-15-13-10-8-11-14(15)16;2*1-2-3-4-5-6-7-8-11-15-12-9-10-14(16)13-15/h4*2-14H2,1H3;4*2-13H2,1H3
InChIKeyGYEMDWXADLFQFL-UHFFFAOYSA-N
XLogP29.47
TPSA162.48 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds68
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001859.12
LogP ≤ 529.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze bis(1-decylpiperidin-3-one);bis(1-decylpiperidin-4-one);bis(1-nonylpiperidin-2-one);bis(1-nonylpiperidin-3-one) with MolForge

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Related Compounds

Bis(1-butylpiperidin-2-one);bis(1-butylpiperidin-3-one);1-pentylpiperidin-3-one;bis(1-pentylpiperidin-4-one)
CID 158462963
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
Methane;nonakis(1-[4-[2-(4-methylpiperazin-1-yl)acetyl]piperazin-1-yl]pentane-1,4-dione)
CID 158947743
1-Nonylpiperidin-4-one;bis(1-octylpiperidin-2-one);bis(1-octylpiperidin-3-one)
CID 159999531
Bis(1-hexylpiperidin-2-one);bis(1-hexylpiperidin-3-one);bis(1-hexylpiperidin-4-one);bis(1-pentylpiperidin-2-one)
CID 160555203
Bis(1-heptylpiperidin-2-one);bis(1-heptylpiperidin-3-one);bis(1-heptylpiperidin-4-one);bis(1-octylpiperidin-4-one)
CID 160557550

Frequently Asked Questions

What is the IUPAC name of bis(1-decylpiperidin-3-one);bis(1-decylpiperidin-4-one);bis(1-nonylpiperidin-2-one);bis(1-nonylpiperidin-3-one)?
The IUPAC name of bis(1-decylpiperidin-3-one);bis(1-decylpiperidin-4-one);bis(1-nonylpiperidin-2-one);bis(1-nonylpiperidin-3-one) (CID 158401722) is bis(1-decylpiperidin-3-one);bis(1-decylpiperidin-4-one);bis(1-nonylpiperidin-2-one);bis(1-nonylpiperidin-3-one).
What is the SMILES notation for bis(1-decylpiperidin-3-one);bis(1-decylpiperidin-4-one);bis(1-nonylpiperidin-2-one);bis(1-nonylpiperidin-3-one)?
The canonical SMILES for bis(1-decylpiperidin-3-one);bis(1-decylpiperidin-4-one);bis(1-nonylpiperidin-2-one);bis(1-nonylpiperidin-3-one) is CCCCCCCCCCN1CCC(=O)CC1.CCCCCCCCCCN1CCC(=O)CC1.CCCCCCCCCCN1CCCC(=O)C1.CCCCCCCCCCN1CCCC(=O)C1.CCCCCCCCCN1CCCC(=O)C1.CCCCCCCCCN1CCCC(=O)C1.CCCCCCCCCN1CCCCC1=O.CCCCCCCCCN1CCCCC1=O.
What is the InChIKey of bis(1-decylpiperidin-3-one);bis(1-decylpiperidin-4-one);bis(1-nonylpiperidin-2-one);bis(1-nonylpiperidin-3-one)?
The InChIKey is GYEMDWXADLFQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C15H29NO.4C14H27NO/c2*1-2-3-4-5-6-7-8-9-12-16-13-10-15(17)11-14-16;2*1-2-3-4-5-6-7-8-9-12-16-13-10-11-15(17)14-16;2*1-2-3-4-5-6-7-9-12-15-13-10-8-11-14(15)16;2*1-2-3-4-5-6-7-8-11-15-12-9-10-14(16)13-15/h4*2-14H2,1H3;4*2-13H2,1H3.
What are the key properties of bis(1-decylpiperidin-3-one);bis(1-decylpiperidin-4-one);bis(1-nonylpiperidin-2-one);bis(1-nonylpiperidin-3-one)?
bis(1-decylpiperidin-3-one);bis(1-decylpiperidin-4-one);bis(1-nonylpiperidin-2-one);bis(1-nonylpiperidin-3-one) has a molecular weight of 1859.12 g/mol, XLogP of 29.47, 68 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-decylpiperidin-3-one);bis(1-decylpiperidin-4-one);bis(1-nonylpiperidin-2-one);bis(1-nonylpiperidin-3-one) is sourced from PubChem (CID 158401722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).