1-[2-[4-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

C21H26N4O6 — CID 55981303

IUPAC1-[2-[4-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESO=C(CN1C(=O)CCC1=O)N1CCN(C(=O)C2CCCCN2C(=O)c2ccco2)CC1
InChIInChI=1S/C21H26N4O6/c26-17-6-7-18(27)25(17)14-19(28)22-9-11-23(12-10-22)20(29)15-4-1-2-8-24(15)21(30)16-5-3-13-31-16/h3,5,13,15H,1-2,4,6-12,14H2
InChIKeyNUVCVMNFTJLZEG-UHFFFAOYSA-N
MW430.46 g/mol
LogP0.09
Rot. Bonds4

About 1-[2-[4-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

1-[2-[4-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 55981303) has the molecular formula C21H26N4O6 and a molecular weight of 430.46 g/mol. Its IUPAC name is 1-[2-[4-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID55981303
Molecular FormulaC21H26N4O6
Molecular Weight430.46 g/mol
Exact Mass430.19
IUPAC Name1-[2-[4-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESO=C(CN1C(=O)CCC1=O)N1CCN(C(=O)C2CCCCN2C(=O)c2ccco2)CC1
InChIInChI=1S/C21H26N4O6/c26-17-6-7-18(27)25(17)14-19(28)22-9-11-23(12-10-22)20(29)15-4-1-2-8-24(15)21(30)16-5-3-13-31-16/h3,5,13,15H,1-2,4,6-12,14H2
InChIKeyNUVCVMNFTJLZEG-UHFFFAOYSA-N
XLogP0.09
TPSA111.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-benzylpiperazin-1-yl)-[1-(furan-2-carbonyl)piperidin-2-yl]methanone
CID 55973734
1-[4-[(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 86876183
tert-butyl 4-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperazine-1-carboxylate
CID 55975170
[1-(furan-2-carbonyl)piperidin-2-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 55975025
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(furan-2-carbonyl)piperidin-2-yl]methanone;hydrochloride
CID 119484214
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[1-(furan-2-carbonyl)piperidin-2-yl]methanone
CID 55974120
N-[1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidin-4-yl]-3-phenylpropanamide
CID 55965715
3-[4-[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 86942785
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-[1-(furan-2-carbonyl)piperidin-2-yl]methanone
CID 55973873
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone
CID 100850284
[1-(furan-2-carbonyl)pyrrolidin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 51263192
[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone
CID 94067915

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (CID 55981303) is 1-[2-[4-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)C2CCCCN2C(=O)c2ccco2)CC1.
What is the InChIKey of 1-[2-[4-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is NUVCVMNFTJLZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O6/c26-17-6-7-18(27)25(17)14-19(28)22-9-11-23(12-10-22)20(29)15-4-1-2-8-24(15)21(30)16-5-3-13-31-16/h3,5,13,15H,1-2,4,6-12,14H2.
What are the key properties of 1-[2-[4-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
1-[2-[4-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 430.46 g/mol, XLogP of 0.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 55981303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).