1-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2,4-dione

C11H18N2O2 — CID 79515396

IUPAC1-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2,4-dione
SMILESCN1CCC(CN2CC(=O)CC2=O)CC1
InChIInChI=1S/C11H18N2O2/c1-12-4-2-9(3-5-12)7-13-8-10(14)6-11(13)15/h9H,2-8H2,1H3
InChIKeyGXWSGIPMBOGSSP-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.13
Rot. Bonds2

About 1-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2,4-dione

1-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2,4-dione (PubChem CID 79515396) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2,4-dione
PubChem CID79515396
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2,4-dione
SMILESCN1CCC(CN2CC(=O)CC2=O)CC1
InChIInChI=1S/C11H18N2O2/c1-12-4-2-9(3-5-12)7-13-8-10(14)6-11(13)15/h9H,2-8H2,1H3
InChIKeyGXWSGIPMBOGSSP-UHFFFAOYSA-N
XLogP0.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperazin-2-one
CID 155150634
4-(chloromethyl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-one
CID 168507284
3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione
CID 64966881
5-ethyl-5-methyl-3-[(1-methylpiperidin-4-yl)methyl]imidazolidin-4-one
CID 83249853
1-(1,3-dimethylpiperidin-4-yl)pyrrolidine-2,4-dione
CID 114504190
1-(cyclobutylmethyl)piperazine-2,5-dione
CID 64956054
1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyrrolidine-2,4-dione
CID 130505208
1-(3-propoxypropyl)pyrrolidine-2,4-dione
CID 82944259
1-(3-methylsulfanylpropyl)pyrrolidine-2,4-dione
CID 79517091
1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-one
CID 60854921
1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-one
CID 114515872
3-[(1-methylpiperidin-4-yl)methyl]-1H-imidazol-2-one
CID 103125432

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2,4-dione?
The IUPAC name of 1-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2,4-dione (CID 79515396) is 1-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2,4-dione.
What is the SMILES notation for 1-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2,4-dione?
The canonical SMILES for 1-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2,4-dione is CN1CCC(CN2CC(=O)CC2=O)CC1.
What is the InChIKey of 1-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2,4-dione?
The InChIKey is GXWSGIPMBOGSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-12-4-2-9(3-5-12)7-13-8-10(14)6-11(13)15/h9H,2-8H2,1H3.
What are the key properties of 1-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2,4-dione?
1-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2,4-dione has a molecular weight of 210.28 g/mol, XLogP of 0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2,4-dione is sourced from PubChem (CID 79515396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).