1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione

C18H25N3O4 — CID 108958407

IUPAC1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
SMILESCC(C)(C(=O)N1CCCC1)C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H25N3O4/c1-18(2,16(23)20-7-3-4-8-20)17(24)21-11-9-19(10-12-21)15(22)14-6-5-13-25-14/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyPEGQBKGPIJNQBL-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.21
Rot. Bonds3

About 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione (PubChem CID 108958407) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione.

Molecular Properties

Compound Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
PubChem CID108958407
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
SMILESCC(C)(C(=O)N1CCCC1)C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H25N3O4/c1-18(2,16(23)20-7-3-4-8-20)17(24)21-11-9-19(10-12-21)15(22)14-6-5-13-25-14/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyPEGQBKGPIJNQBL-UHFFFAOYSA-N
XLogP1.21
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione with MolForge

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Related Compounds

azepan-1-yl(furan-2-yl)methanone
CID 5200992
2-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 113197394
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-2,2-dimethyl-3-oxopropanamide
CID 108961363
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796817
tert-butyl 4-(furan-2-carbonyl)piperazine-1-carboxylate
CID 2980350
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
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632
(4-tert-butylcyclohexyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 35523855
3-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide
CID 108965538
tert-butyl N-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]carbamate
CID 108543095
furan-2-yl-(4-piperidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 5298740

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione?
The IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione (CID 108958407) is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione.
What is the SMILES notation for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione?
The canonical SMILES for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione is CC(C)(C(=O)N1CCCC1)C(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione?
The InChIKey is PEGQBKGPIJNQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-18(2,16(23)20-7-3-4-8-20)17(24)21-11-9-19(10-12-21)15(22)14-6-5-13-25-14/h5-6,13H,3-4,7-12H2,1-2H3.
What are the key properties of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione?
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione has a molecular weight of 347.42 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione is sourced from PubChem (CID 108958407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).