4-(5-methylfuran-2-carbonyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]piperazine-1-carboxamide

C23H28N4O4 — CID 86879967

IUPAC4-(5-methylfuran-2-carbonyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]piperazine-1-carboxamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)NC(C)c3ccc(N4CCCC4=O)cc3)CC2)o1
InChIInChI=1S/C23H28N4O4/c1-16-5-10-20(31-16)22(29)25-12-14-26(15-13-25)23(30)24-17(2)18-6-8-19(9-7-18)27-11-3-4-21(27)28/h5-10,17H,3-4,11-15H2,1-2H3,(H,24,30)
InChIKeyVFTVUEYUGXOPCL-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.94
Rot. Bonds4

About 4-(5-methylfuran-2-carbonyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]piperazine-1-carboxamide

4-(5-methylfuran-2-carbonyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]piperazine-1-carboxamide (PubChem CID 86879967) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-(5-methylfuran-2-carbonyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-methylfuran-2-carbonyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]piperazine-1-carboxamide
PubChem CID86879967
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name4-(5-methylfuran-2-carbonyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]piperazine-1-carboxamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)NC(C)c3ccc(N4CCCC4=O)cc3)CC2)o1
InChIInChI=1S/C23H28N4O4/c1-16-5-10-20(31-16)22(29)25-12-14-26(15-13-25)23(30)24-17(2)18-6-8-19(9-7-18)27-11-3-4-21(27)28/h5-10,17H,3-4,11-15H2,1-2H3,(H,24,30)
InChIKeyVFTVUEYUGXOPCL-UHFFFAOYSA-N
XLogP2.94
TPSA86.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-methylfuran-2-carbonyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]piperazine-1-carboxamide with MolForge

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Related Compounds

4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
CID 86879794
4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
CID 86879934
2-(methylamino)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide;hydrochloride
CID 119755928
2-(cyclopropylmethylamino)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide
CID 119755935
2-amino-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2-phenylacetamide
CID 119307520
N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 94015362
(2S)-2-amino-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119307509
4-(2,2-dimethylpropanoyl)-N-[1-(4-ethylphenyl)ethyl]piperazine-1-carboxamide
CID 86999696
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide
CID 94647353
(2R,4R)-4-hydroxy-N-[(1S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 124692825
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 41156699
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylfuran-2-carbonyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(5-methylfuran-2-carbonyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]piperazine-1-carboxamide (CID 86879967) is 4-(5-methylfuran-2-carbonyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-methylfuran-2-carbonyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(5-methylfuran-2-carbonyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]piperazine-1-carboxamide is Cc1ccc(C(=O)N2CCN(C(=O)NC(C)c3ccc(N4CCCC4=O)cc3)CC2)o1.
What is the InChIKey of 4-(5-methylfuran-2-carbonyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]piperazine-1-carboxamide?
The InChIKey is VFTVUEYUGXOPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-16-5-10-20(31-16)22(29)25-12-14-26(15-13-25)23(30)24-17(2)18-6-8-19(9-7-18)27-11-3-4-21(27)28/h5-10,17H,3-4,11-15H2,1-2H3,(H,24,30).
What are the key properties of 4-(5-methylfuran-2-carbonyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]piperazine-1-carboxamide?
4-(5-methylfuran-2-carbonyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]piperazine-1-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylfuran-2-carbonyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 86879967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).