4-(2,5-dimethylfuran-3-carbonyl)-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperazine-1-carboxamide

C24H30N4O4 — CID 47050868

IUPAC4-(2,5-dimethylfuran-3-carbonyl)-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperazine-1-carboxamide
SMILESCc1cc(C(=O)N2CCN(C(=O)Nc3ccc(CC(=O)N4CCCC4)cc3)CC2)c(C)o1
InChIInChI=1S/C24H30N4O4/c1-17-15-21(18(2)32-17)23(30)27-11-13-28(14-12-27)24(31)25-20-7-5-19(6-8-20)16-22(29)26-9-3-4-10-26/h5-8,15H,3-4,9-14,16H2,1-2H3,(H,25,31)
InChIKeyOSVHUJOQUHVGMN-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.05
Rot. Bonds4

About 4-(2,5-dimethylfuran-3-carbonyl)-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperazine-1-carboxamide

4-(2,5-dimethylfuran-3-carbonyl)-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperazine-1-carboxamide (PubChem CID 47050868) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 4-(2,5-dimethylfuran-3-carbonyl)-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,5-dimethylfuran-3-carbonyl)-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperazine-1-carboxamide
PubChem CID47050868
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name4-(2,5-dimethylfuran-3-carbonyl)-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperazine-1-carboxamide
SMILESCc1cc(C(=O)N2CCN(C(=O)Nc3ccc(CC(=O)N4CCCC4)cc3)CC2)c(C)o1
InChIInChI=1S/C24H30N4O4/c1-17-15-21(18(2)32-17)23(30)27-11-13-28(14-12-27)24(31)25-20-7-5-19(6-8-20)16-22(29)26-9-3-4-10-26/h5-8,15H,3-4,9-14,16H2,1-2H3,(H,25,31)
InChIKeyOSVHUJOQUHVGMN-UHFFFAOYSA-N
XLogP3.05
TPSA86.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-dimethylfuran-3-carbonyl)-N-phenylpiperazine-1-carboxamide
CID 51276164
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(2,5-dimethylfuran-3-carbonyl)piperazine-1-carboxamide
CID 47050838
4-(2,5-dimethylfuran-3-carbonyl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]piperazine-1-carboxamide
CID 47050850
4-(2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide
CID 47050835
N-phenyl-4-(2-phenylacetyl)-1,4-diazepane-1-carboxamide
CID 110811558
2,5-dimethyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]furan-3-carboxamide
CID 86822812
N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55910128
[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134026633
1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 2101213
4-(2,5-dimethylfuran-3-carbonyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide
CID 47050888
2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methyl-2-oxoethanesulfonamide
CID 136513320
N-(3-chloro-4-methylphenyl)-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide
CID 55768358

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylfuran-3-carbonyl)-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2,5-dimethylfuran-3-carbonyl)-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperazine-1-carboxamide (CID 47050868) is 4-(2,5-dimethylfuran-3-carbonyl)-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,5-dimethylfuran-3-carbonyl)-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2,5-dimethylfuran-3-carbonyl)-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperazine-1-carboxamide is Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc(CC(=O)N4CCCC4)cc3)CC2)c(C)o1.
What is the InChIKey of 4-(2,5-dimethylfuran-3-carbonyl)-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is OSVHUJOQUHVGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-17-15-21(18(2)32-17)23(30)27-11-13-28(14-12-27)24(31)25-20-7-5-19(6-8-20)16-22(29)26-9-3-4-10-26/h5-8,15H,3-4,9-14,16H2,1-2H3,(H,25,31).
What are the key properties of 4-(2,5-dimethylfuran-3-carbonyl)-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperazine-1-carboxamide?
4-(2,5-dimethylfuran-3-carbonyl)-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylfuran-3-carbonyl)-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 47050868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).