ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone

C13H24N2O3 — CID 143678083

IUPACethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC.CC(=O)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C11H18N2O3.C2H6/c1-9(14)12-4-6-13(7-5-12)11(15)10-3-2-8-16-10;1-2/h10H,2-8H2,1H3;1-2H3
InChIKeySYXUJGBQKJZIDG-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.88
Rot. Bonds1

About ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone

ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 143678083) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID143678083
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nameethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC.CC(=O)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C11H18N2O3.C2H6/c1-9(14)12-4-6-13(7-5-12)11(15)10-3-2-8-16-10;1-2/h10H,2-8H2,1H3;1-2H3
InChIKeySYXUJGBQKJZIDG-UHFFFAOYSA-N
XLogP0.88
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[1-(oxolane-2-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 113003827
(4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 59620099
(4-methylpiperazin-1-yl)-(oxan-2-yl)methanone
CID 64593251
cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone
CID 97216636
2-bromo-2-methyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 114327369
azepan-1-yl(oxan-2-yl)methanone
CID 64592467
2-methoxy-1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone
CID 94150662
[(3R)-3-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 143794584
N-[(1-acetylpiperidin-4-yl)methyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 119156640
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113073657
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796627
1-[(6S)-4-[(2R)-oxolane-2-carbonyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 95043174

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone (CID 143678083) is ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone is CC.CC(=O)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is SYXUJGBQKJZIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3.C2H6/c1-9(14)12-4-6-13(7-5-12)11(15)10-3-2-8-16-10;1-2/h10H,2-8H2,1H3;1-2H3.
What are the key properties of ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone?
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 256.35 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 143678083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).