3,3-dimethyl-4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazin-2-one

C14H23N3O3 — CID 63608099

IUPAC3,3-dimethyl-4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazin-2-one
SMILESCC(C)N1CC(C(=O)N2CCNC(=O)C2(C)C)CC1=O
InChIInChI=1S/C14H23N3O3/c1-9(2)16-8-10(7-11(16)18)12(19)17-6-5-15-13(20)14(17,3)4/h9-10H,5-8H2,1-4H3,(H,15,20)
InChIKeyNAIQTKLHALXGAC-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.02
Rot. Bonds2

About 3,3-dimethyl-4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazin-2-one

3,3-dimethyl-4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazin-2-one (PubChem CID 63608099) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3,3-dimethyl-4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazin-2-one
PubChem CID63608099
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3,3-dimethyl-4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazin-2-one
SMILESCC(C)N1CC(C(=O)N2CCNC(=O)C2(C)C)CC1=O
InChIInChI=1S/C14H23N3O3/c1-9(2)16-8-10(7-11(16)18)12(19)17-6-5-15-13(20)14(17,3)4/h9-10H,5-8H2,1-4H3,(H,15,20)
InChIKeyNAIQTKLHALXGAC-UHFFFAOYSA-N
XLogP-0.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazin-2-one (CID 63608099) is 3,3-dimethyl-4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazin-2-one is CC(C)N1CC(C(=O)N2CCNC(=O)C2(C)C)CC1=O.
What is the InChIKey of 3,3-dimethyl-4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazin-2-one?
The InChIKey is NAIQTKLHALXGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-9(2)16-8-10(7-11(16)18)12(19)17-6-5-15-13(20)14(17,3)4/h9-10H,5-8H2,1-4H3,(H,15,20).
What are the key properties of 3,3-dimethyl-4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazin-2-one?
3,3-dimethyl-4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazin-2-one has a molecular weight of 281.36 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 63608099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).