piperazin-1-yl(4H-pyran-2-yl)methanone

C10H14N2O2 — CID 70333816

IUPACpiperazin-1-yl(4H-pyran-2-yl)methanone
SMILESO=C(C1=CCC=CO1)N1CCNCC1
InChIInChI=1S/C10H14N2O2/c13-10(9-3-1-2-8-14-9)12-6-4-11-5-7-12/h2-3,8,11H,1,4-7H2
InChIKeyAAILKUMKACUALX-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.24
Rot. Bonds1

About piperazin-1-yl(4H-pyran-2-yl)methanone

piperazin-1-yl(4H-pyran-2-yl)methanone (PubChem CID 70333816) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is piperazin-1-yl(4H-pyran-2-yl)methanone.

Molecular Properties

Compound Namepiperazin-1-yl(4H-pyran-2-yl)methanone
PubChem CID70333816
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namepiperazin-1-yl(4H-pyran-2-yl)methanone
SMILESO=C(C1=CCC=CO1)N1CCNCC1
InChIInChI=1S/C10H14N2O2/c13-10(9-3-1-2-8-14-9)12-6-4-11-5-7-12/h2-3,8,11H,1,4-7H2
InChIKeyAAILKUMKACUALX-UHFFFAOYSA-N
XLogP0.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl(4H-pyran-2-yl)methanone?
The IUPAC name of piperazin-1-yl(4H-pyran-2-yl)methanone (CID 70333816) is piperazin-1-yl(4H-pyran-2-yl)methanone.
What is the SMILES notation for piperazin-1-yl(4H-pyran-2-yl)methanone?
The canonical SMILES for piperazin-1-yl(4H-pyran-2-yl)methanone is O=C(C1=CCC=CO1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl(4H-pyran-2-yl)methanone?
The InChIKey is AAILKUMKACUALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-10(9-3-1-2-8-14-9)12-6-4-11-5-7-12/h2-3,8,11H,1,4-7H2.
What are the key properties of piperazin-1-yl(4H-pyran-2-yl)methanone?
piperazin-1-yl(4H-pyran-2-yl)methanone has a molecular weight of 194.23 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl(4H-pyran-2-yl)methanone is sourced from PubChem (CID 70333816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).