4,4-dimethyl-1-(pyrrolidin-2-ylmethyl)piperidine-2,6-dione

C12H20N2O2 — CID 62930379

IUPAC4,4-dimethyl-1-(pyrrolidin-2-ylmethyl)piperidine-2,6-dione
SMILESCC1(C)CC(=O)N(CC2CCCN2)C(=O)C1
InChIInChI=1S/C12H20N2O2/c1-12(2)6-10(15)14(11(16)7-12)8-9-4-3-5-13-9/h9,13H,3-8H2,1-2H3
InChIKeyDXLABQYCOTVQHR-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.91
Rot. Bonds2

About 4,4-dimethyl-1-(pyrrolidin-2-ylmethyl)piperidine-2,6-dione

4,4-dimethyl-1-(pyrrolidin-2-ylmethyl)piperidine-2,6-dione (PubChem CID 62930379) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4,4-dimethyl-1-(pyrrolidin-2-ylmethyl)piperidine-2,6-dione.

Molecular Properties

Compound Name4,4-dimethyl-1-(pyrrolidin-2-ylmethyl)piperidine-2,6-dione
PubChem CID62930379
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4,4-dimethyl-1-(pyrrolidin-2-ylmethyl)piperidine-2,6-dione
SMILESCC1(C)CC(=O)N(CC2CCCN2)C(=O)C1
InChIInChI=1S/C12H20N2O2/c1-12(2)6-10(15)14(11(16)7-12)8-9-4-3-5-13-9/h9,13H,3-8H2,1-2H3
InChIKeyDXLABQYCOTVQHR-UHFFFAOYSA-N
XLogP0.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(pyrrolidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione
CID 62540613
3,4-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine-2,5-dione
CID 102819845
2-(piperidin-2-ylmethyl)-2-azaspiro[4.5]decane-1,3-dione
CID 43437191
3-[[(2S)-pyrrolidin-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one
CID 53381836
3,3-dimethyl-1-(3-pyrrolidin-2-ylpropyl)pyrrolidine-2,5-dione
CID 65301913
3-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-2,4-dione;hydrochloride
CID 86262251
3-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 99737469
1-[(3-hydroxycyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione
CID 114147569
3-methyl-4-(pyrrolidin-2-ylmethyl)piperazin-2-one
CID 63596858
1-methyl-3-(pyrrolidin-2-ylmethyl)imidazolidin-2-one
CID 62490301
1-[(3-ethylpiperidin-2-yl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 82734658
3-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-2-one
CID 102819920

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(pyrrolidin-2-ylmethyl)piperidine-2,6-dione?
The IUPAC name of 4,4-dimethyl-1-(pyrrolidin-2-ylmethyl)piperidine-2,6-dione (CID 62930379) is 4,4-dimethyl-1-(pyrrolidin-2-ylmethyl)piperidine-2,6-dione.
What is the SMILES notation for 4,4-dimethyl-1-(pyrrolidin-2-ylmethyl)piperidine-2,6-dione?
The canonical SMILES for 4,4-dimethyl-1-(pyrrolidin-2-ylmethyl)piperidine-2,6-dione is CC1(C)CC(=O)N(CC2CCCN2)C(=O)C1.
What is the InChIKey of 4,4-dimethyl-1-(pyrrolidin-2-ylmethyl)piperidine-2,6-dione?
The InChIKey is DXLABQYCOTVQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-12(2)6-10(15)14(11(16)7-12)8-9-4-3-5-13-9/h9,13H,3-8H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-(pyrrolidin-2-ylmethyl)piperidine-2,6-dione?
4,4-dimethyl-1-(pyrrolidin-2-ylmethyl)piperidine-2,6-dione has a molecular weight of 224.30 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(pyrrolidin-2-ylmethyl)piperidine-2,6-dione is sourced from PubChem (CID 62930379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).