N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide

C17H22N3O2+ — CID 7032662

IUPACN-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide
SMILESCC[NH+]1CCN(c2ccc(NC(=O)c3ccco3)cc2)CC1
InChIInChI=1S/C17H21N3O2/c1-2-19-9-11-20(12-10-19)15-7-5-14(6-8-15)18-17(21)16-4-3-13-22-16/h3-8,13H,2,9-12H2,1H3,(H,18,21)/p+1
InChIKeyTYCMJYMXEBXFMF-UHFFFAOYSA-O
MW300.38 g/mol
LogP1.26
Rot. Bonds4

About N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide

N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide (PubChem CID 7032662) has the molecular formula C17H22N3O2+ and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide
PubChem CID7032662
Molecular FormulaC17H22N3O2+
Molecular Weight300.38 g/mol
Exact Mass300.17
IUPAC NameN-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide
SMILESCC[NH+]1CCN(c2ccc(NC(=O)c3ccco3)cc2)CC1
InChIInChI=1S/C17H21N3O2/c1-2-19-9-11-20(12-10-19)15-7-5-14(6-8-15)18-17(21)16-4-3-13-22-16/h3-8,13H,2,9-12H2,1H3,(H,18,21)/p+1
InChIKeyTYCMJYMXEBXFMF-UHFFFAOYSA-O
XLogP1.26
TPSA49.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide 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-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide
CID 6957201
N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 26243989
2,5-dimethylhexa-1,5-diene;methanamine;N-(4-pyrrolidin-1-ylphenyl)furan-2-carboxamide
CID 142931774
4-bromo-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzamide
CID 7106083
N-[4-(4-benzylpiperidin-1-yl)phenyl]furan-2-carboxamide
CID 112985405
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-pyrrol-1-ylbenzamide
CID 9326856
2-chloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-methylbenzamide
CID 6965027
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 9163466
N-[4-(2-oxoimidazolidin-1-yl)phenyl]furan-2-carboxamide
CID 51299859
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]furan-2-carboxamide
CID 858393

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide (CID 7032662) is N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide is CC[NH+]1CCN(c2ccc(NC(=O)c3ccco3)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is TYCMJYMXEBXFMF-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H21N3O2/c1-2-19-9-11-20(12-10-19)15-7-5-14(6-8-15)18-17(21)16-4-3-13-22-16/h3-8,13H,2,9-12H2,1H3,(H,18,21)/p+1.
What are the key properties of N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide?
N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 7032662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).