[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-methylfuran-2-carboxylate

C19H22N2O4 — CID 25340897

IUPAC[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-methylfuran-2-carboxylate
SMILESCc1ccoc1C(=O)O[C@H](C)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22N2O4/c1-14-8-13-24-17(14)19(23)25-15(2)18(22)21-11-9-20(10-12-21)16-6-4-3-5-7-16/h3-8,13,15H,9-12H2,1-2H3/t15-/m1/s1
InChIKeyMEXUGQFNXOBLAA-OAHLLOKOSA-N
MW342.40 g/mol
LogP2.48
Rot. Bonds4

About [(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-methylfuran-2-carboxylate

[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-methylfuran-2-carboxylate (PubChem CID 25340897) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-methylfuran-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-methylfuran-2-carboxylate
PubChem CID25340897
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-methylfuran-2-carboxylate
SMILESCc1ccoc1C(=O)O[C@H](C)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22N2O4/c1-14-8-13-24-17(14)19(23)25-15(2)18(22)21-11-9-20(10-12-21)16-6-4-3-5-7-16/h3-8,13,15H,9-12H2,1-2H3/t15-/m1/s1
InChIKeyMEXUGQFNXOBLAA-OAHLLOKOSA-N
XLogP2.48
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55641128
[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(2,5-dioxopyrrolidin-1-yl)acetate
CID 47011606
[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate
CID 46623746
2-(4-chloro-2-methylphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 3393677
(2S)-2-(4-chloro-2-methylphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 1220793
(2R)-2-(4-chloro-2-methylphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 1220794
[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] (E)-3-(5-iodofuran-2-yl)prop-2-enoate
CID 55417367
2-(3,5-dimethoxyphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 17395855
[4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 38575552
[(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 9384736
(2R)-2-(4-acetylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 9276559

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-methylfuran-2-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-methylfuran-2-carboxylate (CID 25340897) is [(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-methylfuran-2-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-methylfuran-2-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-methylfuran-2-carboxylate is Cc1ccoc1C(=O)O[C@H](C)C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-methylfuran-2-carboxylate?
The InChIKey is MEXUGQFNXOBLAA-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-14-8-13-24-17(14)19(23)25-15(2)18(22)21-11-9-20(10-12-21)16-6-4-3-5-7-16/h3-8,13,15H,9-12H2,1-2H3/t15-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-methylfuran-2-carboxylate?
[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-methylfuran-2-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-methylfuran-2-carboxylate is sourced from PubChem (CID 25340897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).