(2,5-dioxopyrrolidin-1-yl) 5-[4-(dimethylamino)piperidin-1-yl]-5-oxopentanoate

C16H25N3O5 — CID 134403254

IUPAC(2,5-dioxopyrrolidin-1-yl) 5-[4-(dimethylamino)piperidin-1-yl]-5-oxopentanoate
SMILESCN(C)C1CCN(C(=O)CCCC(=O)ON2C(=O)CCC2=O)CC1
InChIInChI=1S/C16H25N3O5/c1-17(2)12-8-10-18(11-9-12)13(20)4-3-5-16(23)24-19-14(21)6-7-15(19)22/h12H,3-11H2,1-2H3
InChIKeyQOZRFDYOZXAVIB-UHFFFAOYSA-N
MW339.39 g/mol
LogP0.32
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) 5-[4-(dimethylamino)piperidin-1-yl]-5-oxopentanoate

(2,5-dioxopyrrolidin-1-yl) 5-[4-(dimethylamino)piperidin-1-yl]-5-oxopentanoate (PubChem CID 134403254) has the molecular formula C16H25N3O5 and a molecular weight of 339.39 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 5-[4-(dimethylamino)piperidin-1-yl]-5-oxopentanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 5-[4-(dimethylamino)piperidin-1-yl]-5-oxopentanoate
PubChem CID134403254
Molecular FormulaC16H25N3O5
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 5-[4-(dimethylamino)piperidin-1-yl]-5-oxopentanoate
SMILESCN(C)C1CCN(C(=O)CCCC(=O)ON2C(=O)CCC2=O)CC1
InChIInChI=1S/C16H25N3O5/c1-17(2)12-8-10-18(11-9-12)13(20)4-3-5-16(23)24-19-14(21)6-7-15(19)22/h12H,3-11H2,1-2H3
InChIKeyQOZRFDYOZXAVIB-UHFFFAOYSA-N
XLogP0.32
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 4-(dimethylamino)butanoate;ethane
CID 178100536
(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane
CID 156842096
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208
(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate
CID 87104242
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
CID 86194285
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate
CID 88545010
(2,5-dioxopyrrolidin-1-yl) 4-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]butanoate;5-(3-oxobutoxy)pentan-2-one
CID 167636990
1-[4-(dimethylamino)piperidin-1-yl]-2-[[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-methylamino]ethanone
CID 144771309
(2,5-dioxopyrrolidin-1-yl) 6-bromo-5-oxohexanoate
CID 149046633
(2,5-dioxopyrrolidin-1-yl) 6-(2,6-dimethylpiperidin-1-yl)-5-oxohexanoate
CID 59392275

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-[4-(dimethylamino)piperidin-1-yl]-5-oxopentanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-[4-(dimethylamino)piperidin-1-yl]-5-oxopentanoate (CID 134403254) is (2,5-dioxopyrrolidin-1-yl) 5-[4-(dimethylamino)piperidin-1-yl]-5-oxopentanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 5-[4-(dimethylamino)piperidin-1-yl]-5-oxopentanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 5-[4-(dimethylamino)piperidin-1-yl]-5-oxopentanoate is CN(C)C1CCN(C(=O)CCCC(=O)ON2C(=O)CCC2=O)CC1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 5-[4-(dimethylamino)piperidin-1-yl]-5-oxopentanoate?
The InChIKey is QOZRFDYOZXAVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5/c1-17(2)12-8-10-18(11-9-12)13(20)4-3-5-16(23)24-19-14(21)6-7-15(19)22/h12H,3-11H2,1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 5-[4-(dimethylamino)piperidin-1-yl]-5-oxopentanoate?
(2,5-dioxopyrrolidin-1-yl) 5-[4-(dimethylamino)piperidin-1-yl]-5-oxopentanoate has a molecular weight of 339.39 g/mol, XLogP of 0.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 5-[4-(dimethylamino)piperidin-1-yl]-5-oxopentanoate is sourced from PubChem (CID 134403254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).