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

C17H24N2O5 — CID 124754048

IUPAC1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
SMILESO=C(COC[C@@H]1CCCCO1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H24N2O5/c20-16(13-22-12-14-4-1-2-10-23-14)18-6-8-19(9-7-18)17(21)15-5-3-11-24-15/h3,5,11,14H,1-2,4,6-10,12-13H2/t14-/m0/s1
InChIKeyNEVAPJJPMNZDDA-AWEZNQCLSA-N
MW336.39 g/mol
LogP1.15
Rot. Bonds5

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

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone (PubChem CID 124754048) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone.

Molecular Properties

Compound Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
PubChem CID124754048
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
SMILESO=C(COC[C@@H]1CCCCO1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H24N2O5/c20-16(13-22-12-14-4-1-2-10-23-14)18-6-8-19(9-7-18)17(21)15-5-3-11-24-15/h3,5,11,14H,1-2,4,6-10,12-13H2/t14-/m0/s1
InChIKeyNEVAPJJPMNZDDA-AWEZNQCLSA-N
XLogP1.15
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone with MolForge

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Related Compounds

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110414536
2-(oxan-2-ylmethoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 70729669
4-(furan-2-carbonyl)-N'-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111167716
2-(oxolan-2-ylmethoxy)-1-[4-(2-phenylethyl)piperidin-1-yl]ethanone
CID 70718982
1-(4-naphthalen-2-ylpiperazin-1-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone
CID 97147496
1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
CID 99971048
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 95267941
[(3S)-3-(cyclopentylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(furan-2-yl)methanone
CID 97418282
1-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 97128511
oxolan-2-ylmethyl furan-2-carboxylate
CID 551325
furan-2-yl-[4-[[1-[(2S)-oxan-2-yl]cyclobutyl]methyl]piperazin-1-yl]methanone
CID 164630611
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-hydroxybenzoate
CID 2388350

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone?
The IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone (CID 124754048) is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone.
What is the SMILES notation for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone?
The canonical SMILES for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone is O=C(COC[C@@H]1CCCCO1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone?
The InChIKey is NEVAPJJPMNZDDA-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O5/c20-16(13-22-12-14-4-1-2-10-23-14)18-6-8-19(9-7-18)17(21)15-5-3-11-24-15/h3,5,11,14H,1-2,4,6-10,12-13H2/t14-/m0/s1.
What are the key properties of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone?
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone has a molecular weight of 336.39 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone is sourced from PubChem (CID 124754048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).