5,9-dimethyl-1-(4-methylpiperazin-1-yl)undec-4-ene-1,10-dione

C18H32N2O2 — CID 155908365

IUPAC5,9-dimethyl-1-(4-methylpiperazin-1-yl)undec-4-ene-1,10-dione
SMILESCC(=O)C(C)CCCC(C)=CCCC(=O)N1CCN(C)CC1
InChIInChI=1S/C18H32N2O2/c1-15(7-5-9-16(2)17(3)21)8-6-10-18(22)20-13-11-19(4)12-14-20/h8,16H,5-7,9-14H2,1-4H3
InChIKeyQMADJUVVKFXMDJ-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.88
Rot. Bonds8

About 5,9-dimethyl-1-(4-methylpiperazin-1-yl)undec-4-ene-1,10-dione

5,9-dimethyl-1-(4-methylpiperazin-1-yl)undec-4-ene-1,10-dione (PubChem CID 155908365) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 5,9-dimethyl-1-(4-methylpiperazin-1-yl)undec-4-ene-1,10-dione.

Molecular Properties

Compound Name5,9-dimethyl-1-(4-methylpiperazin-1-yl)undec-4-ene-1,10-dione
PubChem CID155908365
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name5,9-dimethyl-1-(4-methylpiperazin-1-yl)undec-4-ene-1,10-dione
SMILESCC(=O)C(C)CCCC(C)=CCCC(=O)N1CCN(C)CC1
InChIInChI=1S/C18H32N2O2/c1-15(7-5-9-16(2)17(3)21)8-6-10-18(22)20-13-11-19(4)12-14-20/h8,16H,5-7,9-14H2,1-4H3
InChIKeyQMADJUVVKFXMDJ-UHFFFAOYSA-N
XLogP2.88
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,9-dimethyl-1-(4-methylpiperazin-1-yl)undec-4-ene-1,10-dione?
The IUPAC name of 5,9-dimethyl-1-(4-methylpiperazin-1-yl)undec-4-ene-1,10-dione (CID 155908365) is 5,9-dimethyl-1-(4-methylpiperazin-1-yl)undec-4-ene-1,10-dione.
What is the SMILES notation for 5,9-dimethyl-1-(4-methylpiperazin-1-yl)undec-4-ene-1,10-dione?
The canonical SMILES for 5,9-dimethyl-1-(4-methylpiperazin-1-yl)undec-4-ene-1,10-dione is CC(=O)C(C)CCCC(C)=CCCC(=O)N1CCN(C)CC1.
What is the InChIKey of 5,9-dimethyl-1-(4-methylpiperazin-1-yl)undec-4-ene-1,10-dione?
The InChIKey is QMADJUVVKFXMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-15(7-5-9-16(2)17(3)21)8-6-10-18(22)20-13-11-19(4)12-14-20/h8,16H,5-7,9-14H2,1-4H3.
What are the key properties of 5,9-dimethyl-1-(4-methylpiperazin-1-yl)undec-4-ene-1,10-dione?
5,9-dimethyl-1-(4-methylpiperazin-1-yl)undec-4-ene-1,10-dione has a molecular weight of 308.47 g/mol, XLogP of 2.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dimethyl-1-(4-methylpiperazin-1-yl)undec-4-ene-1,10-dione is sourced from PubChem (CID 155908365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).