propan-2-yl 3-piperazin-1-ylpropanoate;pyridine

C15H25N3O2 — CID 174899865

IUPACpropan-2-yl 3-piperazin-1-ylpropanoate;pyridine
SMILESCC(C)OC(=O)CCN1CCNCC1.c1ccncc1
InChIInChI=1S/C10H20N2O2.C5H5N/c1-9(2)14-10(13)3-6-12-7-4-11-5-8-12;1-2-4-6-5-3-1/h9,11H,3-8H2,1-2H3;1-5H
InChIKeyKJDXOOZBFOZFGB-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.31
Rot. Bonds4

About propan-2-yl 3-piperazin-1-ylpropanoate;pyridine

propan-2-yl 3-piperazin-1-ylpropanoate;pyridine (PubChem CID 174899865) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is propan-2-yl 3-piperazin-1-ylpropanoate;pyridine.

Molecular Properties

Compound Namepropan-2-yl 3-piperazin-1-ylpropanoate;pyridine
PubChem CID174899865
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Namepropan-2-yl 3-piperazin-1-ylpropanoate;pyridine
SMILESCC(C)OC(=O)CCN1CCNCC1.c1ccncc1
InChIInChI=1S/C10H20N2O2.C5H5N/c1-9(2)14-10(13)3-6-12-7-4-11-5-8-12;1-2-4-6-5-3-1/h9,11H,3-8H2,1-2H3;1-5H
InChIKeyKJDXOOZBFOZFGB-UHFFFAOYSA-N
XLogP1.31
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-piperazin-1-ylpropanoate;pyridine?
The IUPAC name of propan-2-yl 3-piperazin-1-ylpropanoate;pyridine (CID 174899865) is propan-2-yl 3-piperazin-1-ylpropanoate;pyridine.
What is the SMILES notation for propan-2-yl 3-piperazin-1-ylpropanoate;pyridine?
The canonical SMILES for propan-2-yl 3-piperazin-1-ylpropanoate;pyridine is CC(C)OC(=O)CCN1CCNCC1.c1ccncc1.
What is the InChIKey of propan-2-yl 3-piperazin-1-ylpropanoate;pyridine?
The InChIKey is KJDXOOZBFOZFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.C5H5N/c1-9(2)14-10(13)3-6-12-7-4-11-5-8-12;1-2-4-6-5-3-1/h9,11H,3-8H2,1-2H3;1-5H.
What are the key properties of propan-2-yl 3-piperazin-1-ylpropanoate;pyridine?
propan-2-yl 3-piperazin-1-ylpropanoate;pyridine has a molecular weight of 279.38 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-piperazin-1-ylpropanoate;pyridine is sourced from PubChem (CID 174899865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).