1-[6-(4-hydroxypiperazin-1-yl)-6-oxohexyl]-3-methylpyrrolidine-2,5-dione

C15H25N3O4 — CID 165403609

IUPAC1-[6-(4-hydroxypiperazin-1-yl)-6-oxohexyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CCCCCC(=O)N2CCN(O)CC2)C1=O
InChIInChI=1S/C15H25N3O4/c1-12-11-14(20)18(15(12)21)6-4-2-3-5-13(19)16-7-9-17(22)10-8-16/h12,22H,2-11H2,1H3
InChIKeyTWZAATDFSXYHGZ-UHFFFAOYSA-N
MW311.38 g/mol
LogP0.48
Rot. Bonds6

About 1-[6-(4-hydroxypiperazin-1-yl)-6-oxohexyl]-3-methylpyrrolidine-2,5-dione

1-[6-(4-hydroxypiperazin-1-yl)-6-oxohexyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 165403609) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-[6-(4-hydroxypiperazin-1-yl)-6-oxohexyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[6-(4-hydroxypiperazin-1-yl)-6-oxohexyl]-3-methylpyrrolidine-2,5-dione
PubChem CID165403609
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Name1-[6-(4-hydroxypiperazin-1-yl)-6-oxohexyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CCCCCC(=O)N2CCN(O)CC2)C1=O
InChIInChI=1S/C15H25N3O4/c1-12-11-14(20)18(15(12)21)6-4-2-3-5-13(19)16-7-9-17(22)10-8-16/h12,22H,2-11H2,1H3
InChIKeyTWZAATDFSXYHGZ-UHFFFAOYSA-N
XLogP0.48
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(3-oxobutyl)hexanamide
CID 122596559
6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(2-oxopropylamino)ethyl]hexanamide
CID 167275837
1-(3,20-dioxohenicosyl)-3-methylpyrrolidine-2,5-dione
CID 58143563
ethane;6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanehydrazide
CID 153342824
5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide
CID 63578183
1-(6-chlorohexyl)-3-methylpyrrolidine-2,5-dione
CID 62227239
1-(4-aminobutyl)-3-methylpyrrolidine-2,5-dione
CID 61236993
6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(4-methylpentyl)hexanamide
CID 171520139
1-butyl-3-methylpyrrolidine-2,5-dione
CID 15757781
(3S)-1-butyl-3-methylpyrrolidine-2,5-dione
CID 98085422
1-[4-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)butyl]-3-methylpyrrolidine-2,5-dione
CID 89185151
3-tert-butyl-1-[6-(3-methylpyrrolidin-1-yl)-6-oxohexyl]pyrrolidine-2,5-dione
CID 134403475

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-hydroxypiperazin-1-yl)-6-oxohexyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[6-(4-hydroxypiperazin-1-yl)-6-oxohexyl]-3-methylpyrrolidine-2,5-dione (CID 165403609) is 1-[6-(4-hydroxypiperazin-1-yl)-6-oxohexyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[6-(4-hydroxypiperazin-1-yl)-6-oxohexyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[6-(4-hydroxypiperazin-1-yl)-6-oxohexyl]-3-methylpyrrolidine-2,5-dione is CC1CC(=O)N(CCCCCC(=O)N2CCN(O)CC2)C1=O.
What is the InChIKey of 1-[6-(4-hydroxypiperazin-1-yl)-6-oxohexyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is TWZAATDFSXYHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-12-11-14(20)18(15(12)21)6-4-2-3-5-13(19)16-7-9-17(22)10-8-16/h12,22H,2-11H2,1H3.
What are the key properties of 1-[6-(4-hydroxypiperazin-1-yl)-6-oxohexyl]-3-methylpyrrolidine-2,5-dione?
1-[6-(4-hydroxypiperazin-1-yl)-6-oxohexyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 311.38 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-hydroxypiperazin-1-yl)-6-oxohexyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 165403609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).