1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone

C11H20N2O2 — CID 23402911

IUPAC1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C11H20N2O2/c1-10(14)13-6-4-12(5-7-13)9-11-3-2-8-15-11/h11H,2-9H2,1H3
InChIKeyMGJCLAHRBARBQG-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.33
Rot. Bonds2

About 1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone

1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 23402911) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
PubChem CID23402911
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C11H20N2O2/c1-10(14)13-6-4-12(5-7-13)9-11-3-2-8-15-11/h11H,2-9H2,1H3
InChIKeyMGJCLAHRBARBQG-UHFFFAOYSA-N
XLogP0.33
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
CID 94794131
2-amino-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 54869581
2-methoxy-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone
CID 94794263
2-(methylamino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869583
3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230246
(2S)-2-methyl-1-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]butan-1-one
CID 94811730
1-[4-[(3S,4S)-4-methyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-3-yl]piperazin-1-yl]ethanone
CID 100837891
4-oxo-4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butanoic acid
CID 60662642
3-oxo-3-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]propanenitrile
CID 129498331
2-bromo-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one
CID 114014436
N-butan-2-yl-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113104298
2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetic acid;hydrochloride
CID 67009184

Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone (CID 23402911) is 1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of 1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is MGJCLAHRBARBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-10(14)13-6-4-12(5-7-13)9-11-3-2-8-15-11/h11H,2-9H2,1H3.
What are the key properties of 1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone?
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 212.29 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 23402911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).