2-methoxy-1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone

C12H20N2O4 — CID 94150662

IUPAC2-methoxy-1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C12H20N2O4/c1-17-9-11(15)13-4-6-14(7-5-13)12(16)10-3-2-8-18-10/h10H,2-9H2,1H3/t10-/m0/s1
InChIKeyCETGKJYRDRPADH-JTQLQIEISA-N
MW256.30 g/mol
LogP-0.52
Rot. Bonds3

About 2-methoxy-1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone

2-methoxy-1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone (PubChem CID 94150662) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-methoxy-1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone
PubChem CID94150662
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-methoxy-1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C12H20N2O4/c1-17-9-11(15)13-4-6-14(7-5-13)12(16)10-3-2-8-18-10/h10H,2-9H2,1H3/t10-/m0/s1
InChIKeyCETGKJYRDRPADH-JTQLQIEISA-N
XLogP-0.52
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-oxo-4-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]butanoate
CID 110797511
2-(4-ethoxyphenoxy)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 108536689
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796627
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
4-amino-3-methoxy-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 120586927
2-methoxy-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone
CID 94794263
5-[4-(2-methoxyacetyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
CID 102688160
2-cyclohexyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 71944684
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methoxyethanone
CID 60637500
1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 60937548
(4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 59620099
2-(2-tert-butylphenoxy)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 78806147

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone (CID 94150662) is 2-methoxy-1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone is COCC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1.
What is the InChIKey of 2-methoxy-1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is CETGKJYRDRPADH-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2O4/c1-17-9-11(15)13-4-6-14(7-5-13)12(16)10-3-2-8-18-10/h10H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of 2-methoxy-1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone?
2-methoxy-1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 256.30 g/mol, XLogP of -0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 94150662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).