oxan-4-yl(piperazin-1-yl)methanone

C10H18N2O2 — CID 28776616

IUPACoxan-4-yl(piperazin-1-yl)methanone
SMILESO=C(C1CCOCC1)N1CCNCC1
InChIInChI=1S/C10H18N2O2/c13-10(9-1-7-14-8-2-9)12-5-3-11-4-6-12/h9,11H,1-8H2
InChIKeyMVYQRGATQMOHCN-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.16
Rot. Bonds1

About oxan-4-yl(piperazin-1-yl)methanone

oxan-4-yl(piperazin-1-yl)methanone (PubChem CID 28776616) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is oxan-4-yl(piperazin-1-yl)methanone.

Molecular Properties

Compound Nameoxan-4-yl(piperazin-1-yl)methanone
PubChem CID28776616
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nameoxan-4-yl(piperazin-1-yl)methanone
SMILESO=C(C1CCOCC1)N1CCNCC1
InChIInChI=1S/C10H18N2O2/c13-10(9-1-7-14-8-2-9)12-5-3-11-4-6-12/h9,11H,1-8H2
InChIKeyMVYQRGATQMOHCN-UHFFFAOYSA-N
XLogP-0.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl(piperazin-1-yl)methanone?
The IUPAC name of oxan-4-yl(piperazin-1-yl)methanone (CID 28776616) is oxan-4-yl(piperazin-1-yl)methanone.
What is the SMILES notation for oxan-4-yl(piperazin-1-yl)methanone?
The canonical SMILES for oxan-4-yl(piperazin-1-yl)methanone is O=C(C1CCOCC1)N1CCNCC1.
What is the InChIKey of oxan-4-yl(piperazin-1-yl)methanone?
The InChIKey is MVYQRGATQMOHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c13-10(9-1-7-14-8-2-9)12-5-3-11-4-6-12/h9,11H,1-8H2.
What are the key properties of oxan-4-yl(piperazin-1-yl)methanone?
oxan-4-yl(piperazin-1-yl)methanone has a molecular weight of 198.27 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl(piperazin-1-yl)methanone is sourced from PubChem (CID 28776616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).