1-morpholin-4-yl-2-(4-octanoylpiperazin-1-yl)ethane-1,2-dione

C18H31N3O4 — CID 55554342

IUPAC1-morpholin-4-yl-2-(4-octanoylpiperazin-1-yl)ethane-1,2-dione
SMILESCCCCCCCC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H31N3O4/c1-2-3-4-5-6-7-16(22)19-8-10-20(11-9-19)17(23)18(24)21-12-14-25-15-13-21/h2-15H2,1H3
InChIKeyOPAOPHXYVLGWNY-UHFFFAOYSA-N
MW353.46 g/mol
LogP0.88
Rot. Bonds6

About 1-morpholin-4-yl-2-(4-octanoylpiperazin-1-yl)ethane-1,2-dione

1-morpholin-4-yl-2-(4-octanoylpiperazin-1-yl)ethane-1,2-dione (PubChem CID 55554342) has the molecular formula C18H31N3O4 and a molecular weight of 353.46 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(4-octanoylpiperazin-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(4-octanoylpiperazin-1-yl)ethane-1,2-dione
PubChem CID55554342
Molecular FormulaC18H31N3O4
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC Name1-morpholin-4-yl-2-(4-octanoylpiperazin-1-yl)ethane-1,2-dione
SMILESCCCCCCCC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H31N3O4/c1-2-3-4-5-6-7-16(22)19-8-10-20(11-9-19)17(23)18(24)21-12-14-25-15-13-21/h2-15H2,1H3
InChIKeyOPAOPHXYVLGWNY-UHFFFAOYSA-N
XLogP0.88
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 175124060
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CID 550164
1-(4-decanoyl-1,4-diazepan-1-yl)decan-1-one
CID 4155089
1-(4-propanoylpiperazin-1-yl)tetradecan-1-one
CID 10338117
1-(4-methylpiperazin-1-yl)heptadecan-1-one
CID 10043612
1-morpholin-4-yl-2-octan-2-ylidenebutane-1,3-dione
CID 71417393
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
1-(4-ethylpiperazin-1-yl)tetradecan-1-one
CID 10358918
1-(4-methylpiperazin-1-yl)hexan-1-one
CID 3470875
5-hydroxy-1-morpholin-4-ylpentan-1-one
CID 54520383

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(4-octanoylpiperazin-1-yl)ethane-1,2-dione?
The IUPAC name of 1-morpholin-4-yl-2-(4-octanoylpiperazin-1-yl)ethane-1,2-dione (CID 55554342) is 1-morpholin-4-yl-2-(4-octanoylpiperazin-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1-morpholin-4-yl-2-(4-octanoylpiperazin-1-yl)ethane-1,2-dione?
The canonical SMILES for 1-morpholin-4-yl-2-(4-octanoylpiperazin-1-yl)ethane-1,2-dione is CCCCCCCC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1.
What is the InChIKey of 1-morpholin-4-yl-2-(4-octanoylpiperazin-1-yl)ethane-1,2-dione?
The InChIKey is OPAOPHXYVLGWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O4/c1-2-3-4-5-6-7-16(22)19-8-10-20(11-9-19)17(23)18(24)21-12-14-25-15-13-21/h2-15H2,1H3.
What are the key properties of 1-morpholin-4-yl-2-(4-octanoylpiperazin-1-yl)ethane-1,2-dione?
1-morpholin-4-yl-2-(4-octanoylpiperazin-1-yl)ethane-1,2-dione has a molecular weight of 353.46 g/mol, XLogP of 0.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(4-octanoylpiperazin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 55554342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).