[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate

C21H25N3O6 — CID 8846968

IUPAC[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
SMILESCOc1ccccc1N1CCN(C(=O)COC(=O)[C@H](C)NC(=O)c2ccco2)CC1
InChIInChI=1S/C21H25N3O6/c1-15(22-20(26)18-8-5-13-29-18)21(27)30-14-19(25)24-11-9-23(10-12-24)16-6-3-4-7-17(16)28-2/h3-8,13,15H,9-12,14H2,1-2H3,(H,22,26)/t15-/m0/s1
InChIKeyBHBXGEIQPKHMGB-HNNXBMFYSA-N
MW415.45 g/mol
LogP1.30
Rot. Bonds7

About [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate

[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate (PubChem CID 8846968) has the molecular formula C21H25N3O6 and a molecular weight of 415.45 g/mol. Its IUPAC name is [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
PubChem CID8846968
Molecular FormulaC21H25N3O6
Molecular Weight415.45 g/mol
Exact Mass415.17
IUPAC Name[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
SMILESCOc1ccccc1N1CCN(C(=O)COC(=O)[C@H](C)NC(=O)c2ccco2)CC1
InChIInChI=1S/C21H25N3O6/c1-15(22-20(26)18-8-5-13-29-18)21(27)30-14-19(25)24-11-9-23(10-12-24)16-6-3-4-7-17(16)28-2/h3-8,13,15H,9-12,14H2,1-2H3,(H,22,26)/t15-/m0/s1
InChIKeyBHBXGEIQPKHMGB-HNNXBMFYSA-N
XLogP1.30
TPSA101.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 8846976
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate
CID 55547219
N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 41160004
2-(furan-2-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 110690646
N-[(1S,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide
CID 92666028
2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 108993359
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] furan-3-carboxylate
CID 26985539
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-phenylbutanoate
CID 71820790
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetate
CID 7317127
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
N-[4-[[[C-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 111133677
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 9201217

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate?
The IUPAC name of [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate (CID 8846968) is [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate?
The canonical SMILES for [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate is COc1ccccc1N1CCN(C(=O)COC(=O)[C@H](C)NC(=O)c2ccco2)CC1.
What is the InChIKey of [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate?
The InChIKey is BHBXGEIQPKHMGB-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H25N3O6/c1-15(22-20(26)18-8-5-13-29-18)21(27)30-14-19(25)24-11-9-23(10-12-24)16-6-3-4-7-17(16)28-2/h3-8,13,15H,9-12,14H2,1-2H3,(H,22,26)/t15-/m0/s1.
What are the key properties of [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate?
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate has a molecular weight of 415.45 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 8846968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).