bis(1-heptylpiperidin-2-one);bis(1-heptylpiperidin-3-one);bis(1-heptylpiperidin-4-one);bis(1-octylpiperidin-4-one)

C98H188N8O8 — CID 160557550

IUPACbis(1-heptylpiperidin-2-one);bis(1-heptylpiperidin-3-one);bis(1-heptylpiperidin-4-one);bis(1-octylpiperidin-4-one)
SMILESCCCCCCCCN1CCC(=O)CC1.CCCCCCCCN1CCC(=O)CC1.CCCCCCCN1CCC(=O)CC1.CCCCCCCN1CCC(=O)CC1.CCCCCCCN1CCCC(=O)C1.CCCCCCCN1CCCC(=O)C1.CCCCCCCN1CCCCC1=O.CCCCCCCN1CCCCC1=O
InChIInChI=1S/2C13H25NO.6C12H23NO/c2*1-2-3-4-5-6-7-10-14-11-8-13(15)9-12-14;2*1-2-3-4-5-7-10-13-11-8-6-9-12(13)14;2*1-2-3-4-5-6-9-13-10-7-12(14)8-11-13;2*1-2-3-4-5-6-9-13-10-7-8-12(14)11-13/h2*2-12H2,1H3;6*2-11H2,1H3
InChIKeyQYWOFGVNAWOCTQ-UHFFFAOYSA-N
MW1606.63 g/mol
LogP22.45
Rot. Bonds50

About bis(1-heptylpiperidin-2-one);bis(1-heptylpiperidin-3-one);bis(1-heptylpiperidin-4-one);bis(1-octylpiperidin-4-one)

bis(1-heptylpiperidin-2-one);bis(1-heptylpiperidin-3-one);bis(1-heptylpiperidin-4-one);bis(1-octylpiperidin-4-one) (PubChem CID 160557550) has the molecular formula C98H188N8O8 and a molecular weight of 1606.63 g/mol. Its IUPAC name is bis(1-heptylpiperidin-2-one);bis(1-heptylpiperidin-3-one);bis(1-heptylpiperidin-4-one);bis(1-octylpiperidin-4-one).

Molecular Properties

Compound Namebis(1-heptylpiperidin-2-one);bis(1-heptylpiperidin-3-one);bis(1-heptylpiperidin-4-one);bis(1-octylpiperidin-4-one)
PubChem CID160557550
Molecular FormulaC98H188N8O8
Molecular Weight1606.63 g/mol
Exact Mass1605.46
IUPAC Namebis(1-heptylpiperidin-2-one);bis(1-heptylpiperidin-3-one);bis(1-heptylpiperidin-4-one);bis(1-octylpiperidin-4-one)
SMILESCCCCCCCCN1CCC(=O)CC1.CCCCCCCCN1CCC(=O)CC1.CCCCCCCN1CCC(=O)CC1.CCCCCCCN1CCC(=O)CC1.CCCCCCCN1CCCC(=O)C1.CCCCCCCN1CCCC(=O)C1.CCCCCCCN1CCCCC1=O.CCCCCCCN1CCCCC1=O
InChIInChI=1S/2C13H25NO.6C12H23NO/c2*1-2-3-4-5-6-7-10-14-11-8-13(15)9-12-14;2*1-2-3-4-5-7-10-13-11-8-6-9-12(13)14;2*1-2-3-4-5-6-9-13-10-7-12(14)8-11-13;2*1-2-3-4-5-6-9-13-10-7-8-12(14)11-13/h2*2-12H2,1H3;6*2-11H2,1H3
InChIKeyQYWOFGVNAWOCTQ-UHFFFAOYSA-N
XLogP22.45
TPSA162.48 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds50
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001606.63
LogP ≤ 522.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

Bis(1-decylpiperidin-3-one);bis(1-decylpiperidin-4-one);bis(1-nonylpiperidin-2-one);bis(1-nonylpiperidin-3-one)
CID 158401722
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

Frequently Asked Questions

What is the IUPAC name of bis(1-heptylpiperidin-2-one);bis(1-heptylpiperidin-3-one);bis(1-heptylpiperidin-4-one);bis(1-octylpiperidin-4-one)?
The IUPAC name of bis(1-heptylpiperidin-2-one);bis(1-heptylpiperidin-3-one);bis(1-heptylpiperidin-4-one);bis(1-octylpiperidin-4-one) (CID 160557550) is bis(1-heptylpiperidin-2-one);bis(1-heptylpiperidin-3-one);bis(1-heptylpiperidin-4-one);bis(1-octylpiperidin-4-one).
What is the SMILES notation for bis(1-heptylpiperidin-2-one);bis(1-heptylpiperidin-3-one);bis(1-heptylpiperidin-4-one);bis(1-octylpiperidin-4-one)?
The canonical SMILES for bis(1-heptylpiperidin-2-one);bis(1-heptylpiperidin-3-one);bis(1-heptylpiperidin-4-one);bis(1-octylpiperidin-4-one) is CCCCCCCCN1CCC(=O)CC1.CCCCCCCCN1CCC(=O)CC1.CCCCCCCN1CCC(=O)CC1.CCCCCCCN1CCC(=O)CC1.CCCCCCCN1CCCC(=O)C1.CCCCCCCN1CCCC(=O)C1.CCCCCCCN1CCCCC1=O.CCCCCCCN1CCCCC1=O.
What is the InChIKey of bis(1-heptylpiperidin-2-one);bis(1-heptylpiperidin-3-one);bis(1-heptylpiperidin-4-one);bis(1-octylpiperidin-4-one)?
The InChIKey is QYWOFGVNAWOCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H25NO.6C12H23NO/c2*1-2-3-4-5-6-7-10-14-11-8-13(15)9-12-14;2*1-2-3-4-5-7-10-13-11-8-6-9-12(13)14;2*1-2-3-4-5-6-9-13-10-7-12(14)8-11-13;2*1-2-3-4-5-6-9-13-10-7-8-12(14)11-13/h2*2-12H2,1H3;6*2-11H2,1H3.
What are the key properties of bis(1-heptylpiperidin-2-one);bis(1-heptylpiperidin-3-one);bis(1-heptylpiperidin-4-one);bis(1-octylpiperidin-4-one)?
bis(1-heptylpiperidin-2-one);bis(1-heptylpiperidin-3-one);bis(1-heptylpiperidin-4-one);bis(1-octylpiperidin-4-one) has a molecular weight of 1606.63 g/mol, XLogP of 22.45, 50 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-heptylpiperidin-2-one);bis(1-heptylpiperidin-3-one);bis(1-heptylpiperidin-4-one);bis(1-octylpiperidin-4-one) is sourced from PubChem (CID 160557550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).