4-methoxy-N-[(E)-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide

C26H25N3O6 — CID 1319024

IUPAC4-methoxy-N-[(E)-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
SMILESCOc1ccc(C(=O)N/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C26H25N3O6/c1-34-19-11-9-18(10-12-19)25(30)27-22(26(31)28-15-5-2-6-16-28)17-20-13-14-24(35-20)21-7-3-4-8-23(21)29(32)33/h3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,27,30)/b22-17+
InChIKeyHGNJNWVFPDTBRL-OQKWZONESA-N
MW475.50 g/mol
LogP4.65
Rot. Bonds7

About 4-methoxy-N-[(E)-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide

4-methoxy-N-[(E)-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide (PubChem CID 1319024) has the molecular formula C26H25N3O6 and a molecular weight of 475.50 g/mol. Its IUPAC name is 4-methoxy-N-[(E)-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(E)-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
PubChem CID1319024
Molecular FormulaC26H25N3O6
Molecular Weight475.50 g/mol
Exact Mass475.17
IUPAC Name4-methoxy-N-[(E)-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
SMILESCOc1ccc(C(=O)N/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C26H25N3O6/c1-34-19-11-9-18(10-12-19)25(30)27-22(26(31)28-15-5-2-6-16-28)17-20-13-14-24(35-20)21-7-3-4-8-23(21)29(32)33/h3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,27,30)/b22-17+
InChIKeyHGNJNWVFPDTBRL-OQKWZONESA-N
XLogP4.65
TPSA114.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-methoxy-N-[(E)-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide
CID 5442664
N-[1-(4-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
CID 3090292
(E)-2-(4-methoxybenzoyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enenitrile
CID 24508765
N-[(Z)-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxo-3-(propylamino)prop-1-en-2-yl]benzamide
CID 2131804
4-methyl-N-[(Z)-3-(2-methylpropylamino)-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]benzamide
CID 45053517
N-[(E)-3-(azepan-1-yl)-1-[5-(2,5-dichlorophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 21178678
N-[3-morpholin-4-yl-1-[5-(4-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]benzamide
CID 1106740
4-methyl-N-[3-morpholin-4-yl-1-[5-(4-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]benzamide
CID 1087351
N-[(Z)-3-[(1,1-dioxothiolan-3-yl)amino]-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 6514490
N-[(Z)-1-(2-chlorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-4-nitrobenzamide
CID 5440631
N-[3-(3-imidazol-1-ylpropylamino)-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2926909
4-methoxy-N-[1-(5-methylfuran-2-yl)-3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)prop-1-en-2-yl]-3-nitrobenzamide
CID 3640584

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(E)-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide?
The IUPAC name of 4-methoxy-N-[(E)-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide (CID 1319024) is 4-methoxy-N-[(E)-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(E)-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[(E)-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide is COc1ccc(C(=O)N/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N2CCCCC2)cc1.
What is the InChIKey of 4-methoxy-N-[(E)-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide?
The InChIKey is HGNJNWVFPDTBRL-OQKWZONESA-N. The full InChI is InChI=1S/C26H25N3O6/c1-34-19-11-9-18(10-12-19)25(30)27-22(26(31)28-15-5-2-6-16-28)17-20-13-14-24(35-20)21-7-3-4-8-23(21)29(32)33/h3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,27,30)/b22-17+.
What are the key properties of 4-methoxy-N-[(E)-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide?
4-methoxy-N-[(E)-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide has a molecular weight of 475.50 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(E)-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 1319024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).