5-[4-(furan-2-carbonyl)piperazin-1-yl]-5-oxo-3-phenylpentanoic acid

C20H22N2O5 — CID 2812276

IUPAC5-[4-(furan-2-carbonyl)piperazin-1-yl]-5-oxo-3-phenylpentanoic acid
SMILESO=C(O)CC(CC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1
InChIInChI=1S/C20H22N2O5/c23-18(13-16(14-19(24)25)15-5-2-1-3-6-15)21-8-10-22(11-9-21)20(26)17-7-4-12-27-17/h1-7,12,16H,8-11,13-14H2,(H,24,25)
InChIKeyZRWCVASLBYKEPY-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.21
Rot. Bonds6

About 5-[4-(furan-2-carbonyl)piperazin-1-yl]-5-oxo-3-phenylpentanoic acid

5-[4-(furan-2-carbonyl)piperazin-1-yl]-5-oxo-3-phenylpentanoic acid (PubChem CID 2812276) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 5-[4-(furan-2-carbonyl)piperazin-1-yl]-5-oxo-3-phenylpentanoic acid.

Molecular Properties

Compound Name5-[4-(furan-2-carbonyl)piperazin-1-yl]-5-oxo-3-phenylpentanoic acid
PubChem CID2812276
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name5-[4-(furan-2-carbonyl)piperazin-1-yl]-5-oxo-3-phenylpentanoic acid
SMILESO=C(O)CC(CC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1
InChIInChI=1S/C20H22N2O5/c23-18(13-16(14-19(24)25)15-5-2-1-3-6-15)21-8-10-22(11-9-21)20(26)17-7-4-12-27-17/h1-7,12,16H,8-11,13-14H2,(H,24,25)
InChIKeyZRWCVASLBYKEPY-UHFFFAOYSA-N
XLogP2.21
TPSA91.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

A 317920
CID 10389213
Phenyl 4-(furan-2-carbonyl)piperazine-1-carboxylate
CID 3758798
N-[(4-fluorophenyl)methyl]-N-[3-(furan-2-yl)-3-phenylpropyl]furan-2-carboxamide
CID 2965322
N-{2-[(2-furylmethyl)(isopropyl)amino]ethyl}-1-oxo-4-phenyl-1H-isochromene-3-carboxamide
CID 16193996
1-Furan-2-ylmethyl-4-(3-methoxy-benzyl)-piperazine
CID 24762012
2-(Furan-2-carboxamido)-3-(4-hydroxyphenyl)propanoic acid
CID 565567
(+/-)-threo-N-(2-Methylfuran)methylphenidate
CID 52947085
N-[1-(Furan-2-carbonyl)-4-(4-methoxy-phenyl)-piperidin-4-yl]-acetamide
CID 652969
[2-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2335760
Furan-2-carboxylic acid {1-[(benzyloxymethyl-cyano-methyl)-carbamoyl]-2-cyclohexyl-ethyl}-amide
CID 10938777
N-[2-[(1R,5S)-3-(3-carbamoylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-N-(cyclohexylmethyl)furan-2-carboxamide
CID 155535351
N-[2-phenyl-1-(1-piperidinylcarbonyl)vinyl]-2-furamide
CID 738317

Frequently Asked Questions

What is the IUPAC name of 5-[4-(furan-2-carbonyl)piperazin-1-yl]-5-oxo-3-phenylpentanoic acid?
The IUPAC name of 5-[4-(furan-2-carbonyl)piperazin-1-yl]-5-oxo-3-phenylpentanoic acid (CID 2812276) is 5-[4-(furan-2-carbonyl)piperazin-1-yl]-5-oxo-3-phenylpentanoic acid.
What is the SMILES notation for 5-[4-(furan-2-carbonyl)piperazin-1-yl]-5-oxo-3-phenylpentanoic acid?
The canonical SMILES for 5-[4-(furan-2-carbonyl)piperazin-1-yl]-5-oxo-3-phenylpentanoic acid is O=C(O)CC(CC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1.
What is the InChIKey of 5-[4-(furan-2-carbonyl)piperazin-1-yl]-5-oxo-3-phenylpentanoic acid?
The InChIKey is ZRWCVASLBYKEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c23-18(13-16(14-19(24)25)15-5-2-1-3-6-15)21-8-10-22(11-9-21)20(26)17-7-4-12-27-17/h1-7,12,16H,8-11,13-14H2,(H,24,25).
What are the key properties of 5-[4-(furan-2-carbonyl)piperazin-1-yl]-5-oxo-3-phenylpentanoic acid?
5-[4-(furan-2-carbonyl)piperazin-1-yl]-5-oxo-3-phenylpentanoic acid has a molecular weight of 370.41 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(furan-2-carbonyl)piperazin-1-yl]-5-oxo-3-phenylpentanoic acid is sourced from PubChem (CID 2812276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).