4-(2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide

C22H23N3O5 — CID 47050835

IUPAC4-(2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide
SMILESCc1cc(C(=O)N2CCN(C(=O)Nc3ccc4c(C)cc(=O)oc4c3)CC2)c(C)o1
InChIInChI=1S/C22H23N3O5/c1-13-10-20(26)30-19-12-16(4-5-17(13)19)23-22(28)25-8-6-24(7-9-25)21(27)18-11-14(2)29-15(18)3/h4-5,10-12H,6-9H2,1-3H3,(H,23,28)
InChIKeySAGCIRHSKFRGEN-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.30
Rot. Bonds2

About 4-(2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide

4-(2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide (PubChem CID 47050835) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is 4-(2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide
PubChem CID47050835
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name4-(2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide
SMILESCc1cc(C(=O)N2CCN(C(=O)Nc3ccc4c(C)cc(=O)oc4c3)CC2)c(C)o1
InChIInChI=1S/C22H23N3O5/c1-13-10-20(26)30-19-12-16(4-5-17(13)19)23-22(28)25-8-6-24(7-9-25)21(27)18-11-14(2)29-15(18)3/h4-5,10-12H,6-9H2,1-3H3,(H,23,28)
InChIKeySAGCIRHSKFRGEN-UHFFFAOYSA-N
XLogP3.30
TPSA96.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-dimethylfuran-3-carbonyl)-N-phenylpiperazine-1-carboxamide
CID 51276164
N-(4-methyl-2-oxochromen-7-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide
CID 118780195
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(2,5-dimethylfuran-3-carbonyl)piperazine-1-carboxamide
CID 47050838
4-[(1-methylimidazol-2-yl)methyl]-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide
CID 118792501
4-methyl-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide
CID 17270256
N-(4-methyl-2-oxochromen-7-yl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide
CID 47076615
4-(2,5-dimethylfuran-3-carbonyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide
CID 47050888
4-(2,5-dimethylfuran-3-carbonyl)-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperazine-1-carboxamide
CID 47050868
4-(2,5-dimethylfuran-3-carbonyl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]piperazine-1-carboxamide
CID 47050850
N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide
CID 26878502
1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 2101213
N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-2-carboxamide
CID 5102257

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide (CID 47050835) is 4-(2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide is Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc4c(C)cc(=O)oc4c3)CC2)c(C)o1.
What is the InChIKey of 4-(2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide?
The InChIKey is SAGCIRHSKFRGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-13-10-20(26)30-19-12-16(4-5-17(13)19)23-22(28)25-8-6-24(7-9-25)21(27)18-11-14(2)29-15(18)3/h4-5,10-12H,6-9H2,1-3H3,(H,23,28).
What are the key properties of 4-(2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide?
4-(2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide has a molecular weight of 409.44 g/mol, XLogP of 3.30, 2 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-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide is sourced from PubChem (CID 47050835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).