butan-2-one;1-(4-propanoylpiperazin-1-yl)propan-1-one

C14H26N2O3 — CID 158896356

IUPACbutan-2-one;1-(4-propanoylpiperazin-1-yl)propan-1-one
SMILESCCC(=O)N1CCN(C(=O)CC)CC1.CCC(C)=O
InChIInChI=1S/C10H18N2O2.C4H8O/c1-3-9(13)11-5-7-12(8-6-11)10(14)4-2;1-3-4(2)5/h3-8H2,1-2H3;3H2,1-2H3
InChIKeyJEWMLBOMGZCWCK-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.46
Rot. Bonds3

About butan-2-one;1-(4-propanoylpiperazin-1-yl)propan-1-one

butan-2-one;1-(4-propanoylpiperazin-1-yl)propan-1-one (PubChem CID 158896356) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is butan-2-one;1-(4-propanoylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Namebutan-2-one;1-(4-propanoylpiperazin-1-yl)propan-1-one
PubChem CID158896356
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namebutan-2-one;1-(4-propanoylpiperazin-1-yl)propan-1-one
SMILESCCC(=O)N1CCN(C(=O)CC)CC1.CCC(C)=O
InChIInChI=1S/C10H18N2O2.C4H8O/c1-3-9(13)11-5-7-12(8-6-11)10(14)4-2;1-3-4(2)5/h3-8H2,1-2H3;3H2,1-2H3
InChIKeyJEWMLBOMGZCWCK-UHFFFAOYSA-N
XLogP1.46
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze butan-2-one;1-(4-propanoylpiperazin-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4,7-di(propanoyl)-1,4,7-triazonan-1-yl]propan-1-one;ethane;propane
CID 177209805
1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one
CID 146415893
1-(4-propanoyl-1,4-diazepan-1-yl)butane-1,3-dione
CID 54916137
1-(4-sulfanylpiperazin-1-yl)propan-1-one
CID 123150582
1-(azepan-1-yl)propan-1-one
CID 3613534
1-(4-propanoylpiperazin-1-yl)tetradecan-1-one
CID 10338117
ethene;1-pyrrolidin-1-ylpropan-1-one
CID 158024233
methane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one
CID 158630764
ethane;1-(4-propylpiperazin-1-yl)propan-1-one
CID 171788369
4-chloro-1-(4-propanoyl-1,4-diazepan-1-yl)butan-1-one
CID 63308674
1-[4-(2,4-dimethylpentan-3-yl)piperazin-1-yl]propan-1-one
CID 140968598
formic acid;1-pyrrolidin-1-ylpropan-1-one
CID 142278991

Frequently Asked Questions

What is the IUPAC name of butan-2-one;1-(4-propanoylpiperazin-1-yl)propan-1-one?
The IUPAC name of butan-2-one;1-(4-propanoylpiperazin-1-yl)propan-1-one (CID 158896356) is butan-2-one;1-(4-propanoylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for butan-2-one;1-(4-propanoylpiperazin-1-yl)propan-1-one?
The canonical SMILES for butan-2-one;1-(4-propanoylpiperazin-1-yl)propan-1-one is CCC(=O)N1CCN(C(=O)CC)CC1.CCC(C)=O.
What is the InChIKey of butan-2-one;1-(4-propanoylpiperazin-1-yl)propan-1-one?
The InChIKey is JEWMLBOMGZCWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2.C4H8O/c1-3-9(13)11-5-7-12(8-6-11)10(14)4-2;1-3-4(2)5/h3-8H2,1-2H3;3H2,1-2H3.
What are the key properties of butan-2-one;1-(4-propanoylpiperazin-1-yl)propan-1-one?
butan-2-one;1-(4-propanoylpiperazin-1-yl)propan-1-one has a molecular weight of 270.37 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-one;1-(4-propanoylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 158896356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).