1-(oxolan-3-yl)-2-(4-propylpiperazin-1-yl)ethanone

C13H24N2O2 — CID 104749907

IUPAC1-(oxolan-3-yl)-2-(4-propylpiperazin-1-yl)ethanone
SMILESCCCN1CCN(CC(=O)C2CCOC2)CC1
InChIInChI=1S/C13H24N2O2/c1-2-4-14-5-7-15(8-6-14)10-13(16)12-3-9-17-11-12/h12H,2-11H2,1H3
InChIKeyBYGJJNYHKYFMEM-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.62
Rot. Bonds5

About 1-(oxolan-3-yl)-2-(4-propylpiperazin-1-yl)ethanone

1-(oxolan-3-yl)-2-(4-propylpiperazin-1-yl)ethanone (PubChem CID 104749907) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-2-(4-propylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(oxolan-3-yl)-2-(4-propylpiperazin-1-yl)ethanone
PubChem CID104749907
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(oxolan-3-yl)-2-(4-propylpiperazin-1-yl)ethanone
SMILESCCCN1CCN(CC(=O)C2CCOC2)CC1
InChIInChI=1S/C13H24N2O2/c1-2-4-14-5-7-15(8-6-14)10-13(16)12-3-9-17-11-12/h12H,2-11H2,1H3
InChIKeyBYGJJNYHKYFMEM-UHFFFAOYSA-N
XLogP0.62
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxolan-3-yl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103498923
2-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(oxolan-3-yl)ethanone
CID 106836620
2-(4-acetyl-1,4-diazepan-1-yl)-1-(oxolan-3-yl)ethanone
CID 104750236
1-(oxolan-3-yl)-2-piperazin-1-ylethanone
CID 104750458
1-[2-oxo-2-(oxolan-3-yl)ethyl]piperidine-4-carboxamide
CID 104749892
1-(oxolan-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 104749860
1-[2-oxo-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione
CID 113448958
2-(azetidin-1-yl)-1-(oxan-3-yl)ethanone
CID 130757980
2-(3-azaspiro[5.5]undecan-3-yl)-1-(oxolan-3-yl)ethanone
CID 104750677
1-(oxolan-3-yl)-2-(2-propylpiperidin-1-yl)ethanone
CID 104751033
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(oxolan-3-yl)ethanone
CID 104750092
1-(oxolan-3-yl)nonan-1-one
CID 65330227

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-2-(4-propylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(oxolan-3-yl)-2-(4-propylpiperazin-1-yl)ethanone (CID 104749907) is 1-(oxolan-3-yl)-2-(4-propylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(oxolan-3-yl)-2-(4-propylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(oxolan-3-yl)-2-(4-propylpiperazin-1-yl)ethanone is CCCN1CCN(CC(=O)C2CCOC2)CC1.
What is the InChIKey of 1-(oxolan-3-yl)-2-(4-propylpiperazin-1-yl)ethanone?
The InChIKey is BYGJJNYHKYFMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-4-14-5-7-15(8-6-14)10-13(16)12-3-9-17-11-12/h12H,2-11H2,1H3.
What are the key properties of 1-(oxolan-3-yl)-2-(4-propylpiperazin-1-yl)ethanone?
1-(oxolan-3-yl)-2-(4-propylpiperazin-1-yl)ethanone has a molecular weight of 240.35 g/mol, XLogP of 0.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-2-(4-propylpiperazin-1-yl)ethanone is sourced from PubChem (CID 104749907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).