4-(3-phenylfuran-2-carbonyl)piperazine-2,6-dione

C15H12N2O4 — CID 66084701

IUPAC4-(3-phenylfuran-2-carbonyl)piperazine-2,6-dione
SMILESO=C1CN(C(=O)c2occc2-c2ccccc2)CC(=O)N1
InChIInChI=1S/C15H12N2O4/c18-12-8-17(9-13(19)16-12)15(20)14-11(6-7-21-14)10-4-2-1-3-5-10/h1-7H,8-9H2,(H,16,18,19)
InChIKeyMGCDXDMYLFMNRQ-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.05
Rot. Bonds2

About 4-(3-phenylfuran-2-carbonyl)piperazine-2,6-dione

4-(3-phenylfuran-2-carbonyl)piperazine-2,6-dione (PubChem CID 66084701) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 4-(3-phenylfuran-2-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(3-phenylfuran-2-carbonyl)piperazine-2,6-dione
PubChem CID66084701
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name4-(3-phenylfuran-2-carbonyl)piperazine-2,6-dione
SMILESO=C1CN(C(=O)c2occc2-c2ccccc2)CC(=O)N1
InChIInChI=1S/C15H12N2O4/c18-12-8-17(9-13(19)16-12)15(20)14-11(6-7-21-14)10-4-2-1-3-5-10/h1-7H,8-9H2,(H,16,18,19)
InChIKeyMGCDXDMYLFMNRQ-UHFFFAOYSA-N
XLogP1.05
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

A 317920
CID 10389213
1-(2-Furoyl)piperazine
CID 550206
CL82198
CID 2777
N-(2-Furylmethyl)benzamide
CID 236716
4-((3-Methyl-1-benzofuran-2-YL)carbonyl)morpholine
CID 768761
1-[5-(4-Chlorophenyl)-2-furoyl]piperazine
CID 24857857
Furan-2-carboxamide deriv., 17
CID 44236903
Furan-2-carboxamide deriv., 19
CID 44236905
N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]furan-2-carboxamide
CID 162515877
N-(1,2,2,6,6-pentamethyl-4-piperidinyl)-2-furamide
CID 723466
N-(2-Furylmethyl)-3-phenylacrylamide
CID 732131
4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(furan-2-ylmethyl)butanamide
CID 2870264

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylfuran-2-carbonyl)piperazine-2,6-dione?
The IUPAC name of 4-(3-phenylfuran-2-carbonyl)piperazine-2,6-dione (CID 66084701) is 4-(3-phenylfuran-2-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(3-phenylfuran-2-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 4-(3-phenylfuran-2-carbonyl)piperazine-2,6-dione is O=C1CN(C(=O)c2occc2-c2ccccc2)CC(=O)N1.
What is the InChIKey of 4-(3-phenylfuran-2-carbonyl)piperazine-2,6-dione?
The InChIKey is MGCDXDMYLFMNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c18-12-8-17(9-13(19)16-12)15(20)14-11(6-7-21-14)10-4-2-1-3-5-10/h1-7H,8-9H2,(H,16,18,19).
What are the key properties of 4-(3-phenylfuran-2-carbonyl)piperazine-2,6-dione?
4-(3-phenylfuran-2-carbonyl)piperazine-2,6-dione has a molecular weight of 284.27 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylfuran-2-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 66084701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).