1-(oxolan-3-yl)-2-piperazin-1-ylethanone

C10H18N2O2 — CID 104750458

IUPAC1-(oxolan-3-yl)-2-piperazin-1-ylethanone
SMILESO=C(CN1CCNCC1)C1CCOC1
InChIInChI=1S/C10H18N2O2/c13-10(9-1-6-14-8-9)7-12-4-2-11-3-5-12/h9,11H,1-8H2
InChIKeyKFJRDPCVSNVEIY-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.50
Rot. Bonds3

About 1-(oxolan-3-yl)-2-piperazin-1-ylethanone

1-(oxolan-3-yl)-2-piperazin-1-ylethanone (PubChem CID 104750458) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-2-piperazin-1-ylethanone.

Molecular Properties

Compound Name1-(oxolan-3-yl)-2-piperazin-1-ylethanone
PubChem CID104750458
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-(oxolan-3-yl)-2-piperazin-1-ylethanone
SMILESO=C(CN1CCNCC1)C1CCOC1
InChIInChI=1S/C10H18N2O2/c13-10(9-1-6-14-8-9)7-12-4-2-11-3-5-12/h9,11H,1-8H2
InChIKeyKFJRDPCVSNVEIY-UHFFFAOYSA-N
XLogP-0.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-oxo-2-(oxolan-3-yl)ethyl]piperidine-4-carboxamide
CID 104749892
1-(oxolan-3-yl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103498923
1-(oxolan-3-yl)-2-(4-propylpiperazin-1-yl)ethanone
CID 104749907
2-(azetidin-1-yl)-1-(oxan-3-yl)ethanone
CID 130757980
2-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(oxolan-3-yl)ethanone
CID 106836620
2-(3-azaspiro[5.5]undecan-3-yl)-1-(oxolan-3-yl)ethanone
CID 104750677
2-(4-acetyl-1,4-diazepan-1-yl)-1-(oxolan-3-yl)ethanone
CID 104750236
1-(oxolan-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 104749860
N-methyl-N-(2-piperazin-1-ylethyl)oxolane-3-carboxamide
CID 63265616
oxolan-3-ylmethyl 2-piperazin-1-ylacetate
CID 62311858
2-[2-(hydroxymethyl)azepan-1-yl]-1-(oxolan-3-yl)ethanone
CID 116635401
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(oxolan-3-yl)ethanone
CID 104750092

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-2-piperazin-1-ylethanone?
The IUPAC name of 1-(oxolan-3-yl)-2-piperazin-1-ylethanone (CID 104750458) is 1-(oxolan-3-yl)-2-piperazin-1-ylethanone.
What is the SMILES notation for 1-(oxolan-3-yl)-2-piperazin-1-ylethanone?
The canonical SMILES for 1-(oxolan-3-yl)-2-piperazin-1-ylethanone is O=C(CN1CCNCC1)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-2-piperazin-1-ylethanone?
The InChIKey is KFJRDPCVSNVEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c13-10(9-1-6-14-8-9)7-12-4-2-11-3-5-12/h9,11H,1-8H2.
What are the key properties of 1-(oxolan-3-yl)-2-piperazin-1-ylethanone?
1-(oxolan-3-yl)-2-piperazin-1-ylethanone has a molecular weight of 198.27 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-2-piperazin-1-ylethanone is sourced from PubChem (CID 104750458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).