bis(1-hexylpiperidin-2-one);bis(1-hexylpiperidin-3-one);bis(1-hexylpiperidin-4-one);bis(1-pentylpiperidin-2-one)

C86H164N8O8 — CID 160555203

IUPACbis(1-hexylpiperidin-2-one);bis(1-hexylpiperidin-3-one);bis(1-hexylpiperidin-4-one);bis(1-pentylpiperidin-2-one)
SMILESCCCCCCN1CCC(=O)CC1.CCCCCCN1CCC(=O)CC1.CCCCCCN1CCCC(=O)C1.CCCCCCN1CCCC(=O)C1.CCCCCCN1CCCCC1=O.CCCCCCN1CCCCC1=O.CCCCCN1CCCCC1=O.CCCCCN1CCCCC1=O
InChIInChI=1S/6C11H21NO.2C10H19NO/c2*1-2-3-4-6-9-12-10-7-5-8-11(12)13;2*1-2-3-4-5-8-12-9-6-11(13)7-10-12;2*1-2-3-4-5-8-12-9-6-7-11(13)10-12;2*1-2-3-5-8-11-9-6-4-7-10(11)12/h6*2-10H2,1H3;2*2-9H2,1H3
InChIKeyQYPATXZOBDLGNQ-UHFFFAOYSA-N
MW1438.31 g/mol
LogP18.46
Rot. Bonds38

About bis(1-hexylpiperidin-2-one);bis(1-hexylpiperidin-3-one);bis(1-hexylpiperidin-4-one);bis(1-pentylpiperidin-2-one)

bis(1-hexylpiperidin-2-one);bis(1-hexylpiperidin-3-one);bis(1-hexylpiperidin-4-one);bis(1-pentylpiperidin-2-one) (PubChem CID 160555203) has the molecular formula C86H164N8O8 and a molecular weight of 1438.31 g/mol. Its IUPAC name is bis(1-hexylpiperidin-2-one);bis(1-hexylpiperidin-3-one);bis(1-hexylpiperidin-4-one);bis(1-pentylpiperidin-2-one).

Molecular Properties

Compound Namebis(1-hexylpiperidin-2-one);bis(1-hexylpiperidin-3-one);bis(1-hexylpiperidin-4-one);bis(1-pentylpiperidin-2-one)
PubChem CID160555203
Molecular FormulaC86H164N8O8
Molecular Weight1438.31 g/mol
Exact Mass1437.27
IUPAC Namebis(1-hexylpiperidin-2-one);bis(1-hexylpiperidin-3-one);bis(1-hexylpiperidin-4-one);bis(1-pentylpiperidin-2-one)
SMILESCCCCCCN1CCC(=O)CC1.CCCCCCN1CCC(=O)CC1.CCCCCCN1CCCC(=O)C1.CCCCCCN1CCCC(=O)C1.CCCCCCN1CCCCC1=O.CCCCCCN1CCCCC1=O.CCCCCN1CCCCC1=O.CCCCCN1CCCCC1=O
InChIInChI=1S/6C11H21NO.2C10H19NO/c2*1-2-3-4-6-9-12-10-7-5-8-11(12)13;2*1-2-3-4-5-8-12-9-6-11(13)7-10-12;2*1-2-3-4-5-8-12-9-6-7-11(13)10-12;2*1-2-3-5-8-11-9-6-4-7-10(11)12/h6*2-10H2,1H3;2*2-9H2,1H3
InChIKeyQYPATXZOBDLGNQ-UHFFFAOYSA-N
XLogP18.46
TPSA162.48 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds38
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001438.31
LogP ≤ 518.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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
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-heptylpiperidin-2-one);bis(1-heptylpiperidin-3-one);bis(1-heptylpiperidin-4-one);bis(1-octylpiperidin-4-one)
CID 160557550
1,4-Diethylpiperazine;1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;1-[4-(3-oxobutanoyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;bis(1-(4-propanoylpiperazin-1-yl)butane-1,3-dione);1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 165067948

Frequently Asked Questions

What is the IUPAC name of bis(1-hexylpiperidin-2-one);bis(1-hexylpiperidin-3-one);bis(1-hexylpiperidin-4-one);bis(1-pentylpiperidin-2-one)?
The IUPAC name of bis(1-hexylpiperidin-2-one);bis(1-hexylpiperidin-3-one);bis(1-hexylpiperidin-4-one);bis(1-pentylpiperidin-2-one) (CID 160555203) is bis(1-hexylpiperidin-2-one);bis(1-hexylpiperidin-3-one);bis(1-hexylpiperidin-4-one);bis(1-pentylpiperidin-2-one).
What is the SMILES notation for bis(1-hexylpiperidin-2-one);bis(1-hexylpiperidin-3-one);bis(1-hexylpiperidin-4-one);bis(1-pentylpiperidin-2-one)?
The canonical SMILES for bis(1-hexylpiperidin-2-one);bis(1-hexylpiperidin-3-one);bis(1-hexylpiperidin-4-one);bis(1-pentylpiperidin-2-one) is CCCCCCN1CCC(=O)CC1.CCCCCCN1CCC(=O)CC1.CCCCCCN1CCCC(=O)C1.CCCCCCN1CCCC(=O)C1.CCCCCCN1CCCCC1=O.CCCCCCN1CCCCC1=O.CCCCCN1CCCCC1=O.CCCCCN1CCCCC1=O.
What is the InChIKey of bis(1-hexylpiperidin-2-one);bis(1-hexylpiperidin-3-one);bis(1-hexylpiperidin-4-one);bis(1-pentylpiperidin-2-one)?
The InChIKey is QYPATXZOBDLGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/6C11H21NO.2C10H19NO/c2*1-2-3-4-6-9-12-10-7-5-8-11(12)13;2*1-2-3-4-5-8-12-9-6-11(13)7-10-12;2*1-2-3-4-5-8-12-9-6-7-11(13)10-12;2*1-2-3-5-8-11-9-6-4-7-10(11)12/h6*2-10H2,1H3;2*2-9H2,1H3.
What are the key properties of bis(1-hexylpiperidin-2-one);bis(1-hexylpiperidin-3-one);bis(1-hexylpiperidin-4-one);bis(1-pentylpiperidin-2-one)?
bis(1-hexylpiperidin-2-one);bis(1-hexylpiperidin-3-one);bis(1-hexylpiperidin-4-one);bis(1-pentylpiperidin-2-one) has a molecular weight of 1438.31 g/mol, XLogP of 18.46, 38 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-hexylpiperidin-2-one);bis(1-hexylpiperidin-3-one);bis(1-hexylpiperidin-4-one);bis(1-pentylpiperidin-2-one) is sourced from PubChem (CID 160555203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).