4-(2,5-dimethylfuran-3-carbonyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide

C23H28N4O5 — CID 47050888

IUPAC4-(2,5-dimethylfuran-3-carbonyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(C(=O)c3cc(C)oc3C)CC2)cc1N1CCCC1=O
InChIInChI=1S/C23H28N4O5/c1-15-13-18(16(2)32-15)22(29)25-9-11-26(12-10-25)23(30)24-17-6-7-20(31-3)19(14-17)27-8-4-5-21(27)28/h6-7,13-14H,4-5,8-12H2,1-3H3,(H,24,30)
InChIKeyZISWPURUXUCJGT-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.02
Rot. Bonds4

About 4-(2,5-dimethylfuran-3-carbonyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide

4-(2,5-dimethylfuran-3-carbonyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide (PubChem CID 47050888) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is 4-(2,5-dimethylfuran-3-carbonyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,5-dimethylfuran-3-carbonyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide
PubChem CID47050888
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC Name4-(2,5-dimethylfuran-3-carbonyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(C(=O)c3cc(C)oc3C)CC2)cc1N1CCCC1=O
InChIInChI=1S/C23H28N4O5/c1-15-13-18(16(2)32-15)22(29)25-9-11-26(12-10-25)23(30)24-17-6-7-20(31-3)19(14-17)27-8-4-5-21(27)28/h6-7,13-14H,4-5,8-12H2,1-3H3,(H,24,30)
InChIKeyZISWPURUXUCJGT-UHFFFAOYSA-N
XLogP3.02
TPSA95.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,5-dimethylfuran-3-carbonyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide with MolForge

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Related Compounds

N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 55743164
4-[(2R)-1-hydroxybutan-2-yl]-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperazine-1-carboxamide
CID 95788878
4-(2,5-dimethylfuran-3-carbonyl)-N-phenylpiperazine-1-carboxamide
CID 51276164
4-(2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide
CID 47050835
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(2,5-dimethylfuran-3-carbonyl)piperazine-1-carboxamide
CID 47050838
N'-(2-methoxy-5-methylphenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679617
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 55743294
3,5-dimethoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687052
ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
CID 7687938
1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94783824
2-methoxy-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxopropanoic acid
CID 146136090
4-(2,5-dimethylfuran-3-carbonyl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]piperazine-1-carboxamide
CID 47050850

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylfuran-3-carbonyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2,5-dimethylfuran-3-carbonyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide (CID 47050888) is 4-(2,5-dimethylfuran-3-carbonyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,5-dimethylfuran-3-carbonyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2,5-dimethylfuran-3-carbonyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(C(=O)c3cc(C)oc3C)CC2)cc1N1CCCC1=O.
What is the InChIKey of 4-(2,5-dimethylfuran-3-carbonyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide?
The InChIKey is ZISWPURUXUCJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-15-13-18(16(2)32-15)22(29)25-9-11-26(12-10-25)23(30)24-17-6-7-20(31-3)19(14-17)27-8-4-5-21(27)28/h6-7,13-14H,4-5,8-12H2,1-3H3,(H,24,30).
What are the key properties of 4-(2,5-dimethylfuran-3-carbonyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide?
4-(2,5-dimethylfuran-3-carbonyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylfuran-3-carbonyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 47050888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).