1-methyl-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one

C12H21N3O2 — CID 91925816

IUPAC1-methyl-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one
SMILESCCC(=O)N1CCN(C2CCN(C)C2=O)CC1
InChIInChI=1S/C12H21N3O2/c1-3-11(16)15-8-6-14(7-9-15)10-4-5-13(2)12(10)17/h10H,3-9H2,1-2H3
InChIKeyBYYANIFRKZANMM-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.23
Rot. Bonds2

About 1-methyl-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one

1-methyl-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one (PubChem CID 91925816) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-methyl-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one
PubChem CID91925816
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-methyl-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one
SMILESCCC(=O)N1CCN(C2CCN(C)C2=O)CC1
InChIInChI=1S/C12H21N3O2/c1-3-11(16)15-8-6-14(7-9-15)10-4-5-13(2)12(10)17/h10H,3-9H2,1-2H3
InChIKeyBYYANIFRKZANMM-UHFFFAOYSA-N
XLogP-0.23
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one (CID 91925816) is 1-methyl-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one is CCC(=O)N1CCN(C2CCN(C)C2=O)CC1.
What is the InChIKey of 1-methyl-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one?
The InChIKey is BYYANIFRKZANMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-11(16)15-8-6-14(7-9-15)10-4-5-13(2)12(10)17/h10H,3-9H2,1-2H3.
What are the key properties of 1-methyl-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one?
1-methyl-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one has a molecular weight of 239.32 g/mol, XLogP of -0.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 91925816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).