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

C66H125N7O7 — CID 158462963

IUPACbis(1-butylpiperidin-2-one);bis(1-butylpiperidin-3-one);1-pentylpiperidin-3-one;bis(1-pentylpiperidin-4-one)
SMILESCCCCCN1CCC(=O)CC1.CCCCCN1CCC(=O)CC1.CCCCCN1CCCC(=O)C1.CCCCN1CCCC(=O)C1.CCCCN1CCCC(=O)C1.CCCCN1CCCCC1=O.CCCCN1CCCCC1=O
InChIInChI=1S/3C10H19NO.4C9H17NO/c2*1-2-3-4-7-11-8-5-10(12)6-9-11;1-2-3-4-7-11-8-5-6-10(12)9-11;2*1-2-3-7-10-8-5-4-6-9(10)11;2*1-2-3-6-10-7-4-5-9(11)8-10/h3*2-9H2,1H3;4*2-8H2,1H3
InChIKeyHFKIEEYXPXTNTH-UHFFFAOYSA-N
MW1128.77 g/mol
LogP12.03
Rot. Bonds24

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

bis(1-butylpiperidin-2-one);bis(1-butylpiperidin-3-one);1-pentylpiperidin-3-one;bis(1-pentylpiperidin-4-one) (PubChem CID 158462963) has the molecular formula C66H125N7O7 and a molecular weight of 1128.77 g/mol. Its IUPAC name is bis(1-butylpiperidin-2-one);bis(1-butylpiperidin-3-one);1-pentylpiperidin-3-one;bis(1-pentylpiperidin-4-one).

Molecular Properties

Compound Namebis(1-butylpiperidin-2-one);bis(1-butylpiperidin-3-one);1-pentylpiperidin-3-one;bis(1-pentylpiperidin-4-one)
PubChem CID158462963
Molecular FormulaC66H125N7O7
Molecular Weight1128.77 g/mol
Exact Mass1127.96
IUPAC Namebis(1-butylpiperidin-2-one);bis(1-butylpiperidin-3-one);1-pentylpiperidin-3-one;bis(1-pentylpiperidin-4-one)
SMILESCCCCCN1CCC(=O)CC1.CCCCCN1CCC(=O)CC1.CCCCCN1CCCC(=O)C1.CCCCN1CCCC(=O)C1.CCCCN1CCCC(=O)C1.CCCCN1CCCCC1=O.CCCCN1CCCCC1=O
InChIInChI=1S/3C10H19NO.4C9H17NO/c2*1-2-3-4-7-11-8-5-10(12)6-9-11;1-2-3-4-7-11-8-5-6-10(12)9-11;2*1-2-3-7-10-8-5-4-6-9(10)11;2*1-2-3-6-10-7-4-5-9(11)8-10/h3*2-9H2,1H3;4*2-8H2,1H3
InChIKeyHFKIEEYXPXTNTH-UHFFFAOYSA-N
XLogP12.03
TPSA142.17 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001128.77
LogP ≤ 512.03
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
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-butylpiperidin-2-one);bis(1-butylpiperidin-3-one);1-pentylpiperidin-3-one;bis(1-pentylpiperidin-4-one)?
The IUPAC name of bis(1-butylpiperidin-2-one);bis(1-butylpiperidin-3-one);1-pentylpiperidin-3-one;bis(1-pentylpiperidin-4-one) (CID 158462963) is bis(1-butylpiperidin-2-one);bis(1-butylpiperidin-3-one);1-pentylpiperidin-3-one;bis(1-pentylpiperidin-4-one).
What is the SMILES notation for bis(1-butylpiperidin-2-one);bis(1-butylpiperidin-3-one);1-pentylpiperidin-3-one;bis(1-pentylpiperidin-4-one)?
The canonical SMILES for bis(1-butylpiperidin-2-one);bis(1-butylpiperidin-3-one);1-pentylpiperidin-3-one;bis(1-pentylpiperidin-4-one) is CCCCCN1CCC(=O)CC1.CCCCCN1CCC(=O)CC1.CCCCCN1CCCC(=O)C1.CCCCN1CCCC(=O)C1.CCCCN1CCCC(=O)C1.CCCCN1CCCCC1=O.CCCCN1CCCCC1=O.
What is the InChIKey of bis(1-butylpiperidin-2-one);bis(1-butylpiperidin-3-one);1-pentylpiperidin-3-one;bis(1-pentylpiperidin-4-one)?
The InChIKey is HFKIEEYXPXTNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H19NO.4C9H17NO/c2*1-2-3-4-7-11-8-5-10(12)6-9-11;1-2-3-4-7-11-8-5-6-10(12)9-11;2*1-2-3-7-10-8-5-4-6-9(10)11;2*1-2-3-6-10-7-4-5-9(11)8-10/h3*2-9H2,1H3;4*2-8H2,1H3.
What are the key properties of bis(1-butylpiperidin-2-one);bis(1-butylpiperidin-3-one);1-pentylpiperidin-3-one;bis(1-pentylpiperidin-4-one)?
bis(1-butylpiperidin-2-one);bis(1-butylpiperidin-3-one);1-pentylpiperidin-3-one;bis(1-pentylpiperidin-4-one) has a molecular weight of 1128.77 g/mol, XLogP of 12.03, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-butylpiperidin-2-one);bis(1-butylpiperidin-3-one);1-pentylpiperidin-3-one;bis(1-pentylpiperidin-4-one) is sourced from PubChem (CID 158462963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).