3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione

C19H18N4O5 — CID 26680979

IUPAC3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione
SMILESO=C(Cn1[nH]c(=O)c2ccccc2c1=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H18N4O5/c24-16(12-23-18(26)14-5-2-1-4-13(14)17(25)20-23)21-7-9-22(10-8-21)19(27)15-6-3-11-28-15/h1-6,11H,7-10,12H2,(H,20,25)
InChIKeyZDNFSWDFTOOZPN-UHFFFAOYSA-N
MW382.38 g/mol
LogP0.27
Rot. Bonds3

About 3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione

3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione (PubChem CID 26680979) has the molecular formula C19H18N4O5 and a molecular weight of 382.38 g/mol. Its IUPAC name is 3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione.

Molecular Properties

Compound Name3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione
PubChem CID26680979
Molecular FormulaC19H18N4O5
Molecular Weight382.38 g/mol
Exact Mass382.13
IUPAC Name3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione
SMILESO=C(Cn1[nH]c(=O)c2ccccc2c1=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H18N4O5/c24-16(12-23-18(26)14-5-2-1-4-13(14)17(25)20-23)21-7-9-22(10-8-21)19(27)15-6-3-11-28-15/h1-6,11H,7-10,12H2,(H,20,25)
InChIKeyZDNFSWDFTOOZPN-UHFFFAOYSA-N
XLogP0.27
TPSA108.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione with MolForge

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Related Compounds

3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-2H-phthalazine-1,4-dione
CID 9338760
1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 37377595
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 1452094
1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 78789970
3-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione
CID 2108382
1-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]piperidin-2-one
CID 74239747
3-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-1,2,3-benzotriazin-4-one
CID 23793377
1-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 38909999
4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3H-1,4-benzoxazin-2-one
CID 39068775
3-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione
CID 24981246
2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135480830
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione?
The IUPAC name of 3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione (CID 26680979) is 3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione.
What is the SMILES notation for 3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione?
The canonical SMILES for 3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione is O=C(Cn1[nH]c(=O)c2ccccc2c1=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione?
The InChIKey is ZDNFSWDFTOOZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5/c24-16(12-23-18(26)14-5-2-1-4-13(14)17(25)20-23)21-7-9-22(10-8-21)19(27)15-6-3-11-28-15/h1-6,11H,7-10,12H2,(H,20,25).
What are the key properties of 3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione?
3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione has a molecular weight of 382.38 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione is sourced from PubChem (CID 26680979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).