(3S)-3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(furan-3-ylmethyl)piperazin-2-one

C23H28N4O4 — CID 26407343

IUPAC(3S)-3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(furan-3-ylmethyl)piperazin-2-one
SMILESCC(=O)c1ccc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3Cc3ccoc3)CC2)cc1
InChIInChI=1S/C23H28N4O4/c1-17(28)19-2-4-20(5-3-19)25-9-11-26(12-10-25)22(29)14-21-23(30)24-7-8-27(21)15-18-6-13-31-16-18/h2-6,13,16,21H,7-12,14-15H2,1H3,(H,24,30)/t21-/m0/s1
InChIKeyFKGFUBCCQLCTBT-NRFANRHFSA-N
MW424.50 g/mol
LogP1.52
Rot. Bonds6

About (3S)-3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(furan-3-ylmethyl)piperazin-2-one

(3S)-3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(furan-3-ylmethyl)piperazin-2-one (PubChem CID 26407343) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is (3S)-3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(furan-3-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(furan-3-ylmethyl)piperazin-2-one
PubChem CID26407343
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name(3S)-3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(furan-3-ylmethyl)piperazin-2-one
SMILESCC(=O)c1ccc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3Cc3ccoc3)CC2)cc1
InChIInChI=1S/C23H28N4O4/c1-17(28)19-2-4-20(5-3-19)25-9-11-26(12-10-25)22(29)14-21-23(30)24-7-8-27(21)15-18-6-13-31-16-18/h2-6,13,16,21H,7-12,14-15H2,1H3,(H,24,30)/t21-/m0/s1
InChIKeyFKGFUBCCQLCTBT-NRFANRHFSA-N
XLogP1.52
TPSA86.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(furan-3-ylmethyl)piperazin-2-one with MolForge

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Related Compounds

4-(furan-3-ylmethyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-2-one
CID 45238416
4-(furan-3-ylmethyl)-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
CID 45170722
3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-4-propan-2-ylpiperazin-2-one
CID 45222635
2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetic acid
CID 3519215
4-(furan-3-ylmethyl)-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]piperazin-2-one
CID 45227835
(3R)-4-(furan-3-ylmethyl)-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]piperazin-2-one
CID 26316866
(3R)-4-benzyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
CID 26333955
3-[2-(azocan-1-yl)-2-oxoethyl]-4-benzylpiperazin-2-one
CID 46984429
4-benzyl-3-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
CID 50968053
(3R)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one
CID 42382054
N-[(4-fluorophenyl)methyl]-2-[(2R)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 95708333
2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-propyl-N-(pyridin-4-ylmethyl)acetamide
CID 56912099

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(furan-3-ylmethyl)piperazin-2-one?
The IUPAC name of (3S)-3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(furan-3-ylmethyl)piperazin-2-one (CID 26407343) is (3S)-3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(furan-3-ylmethyl)piperazin-2-one.
What is the SMILES notation for (3S)-3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(furan-3-ylmethyl)piperazin-2-one?
The canonical SMILES for (3S)-3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(furan-3-ylmethyl)piperazin-2-one is CC(=O)c1ccc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3Cc3ccoc3)CC2)cc1.
What is the InChIKey of (3S)-3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(furan-3-ylmethyl)piperazin-2-one?
The InChIKey is FKGFUBCCQLCTBT-NRFANRHFSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-17(28)19-2-4-20(5-3-19)25-9-11-26(12-10-25)22(29)14-21-23(30)24-7-8-27(21)15-18-6-13-31-16-18/h2-6,13,16,21H,7-12,14-15H2,1H3,(H,24,30)/t21-/m0/s1.
What are the key properties of (3S)-3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(furan-3-ylmethyl)piperazin-2-one?
(3S)-3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(furan-3-ylmethyl)piperazin-2-one has a molecular weight of 424.50 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(furan-3-ylmethyl)piperazin-2-one is sourced from PubChem (CID 26407343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).