N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]furan-2-carboxamide

C17H21N3O2 — CID 2738572

IUPACN-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]furan-2-carboxamide
SMILESCN1CCN(c2ccc(CNC(=O)c3ccco3)cc2)CC1
InChIInChI=1S/C17H21N3O2/c1-19-8-10-20(11-9-19)15-6-4-14(5-7-15)13-18-17(21)16-3-2-12-22-16/h2-7,12H,8-11,13H2,1H3,(H,18,21)
InChIKeyKRVWPOWEABPSHY-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.96
Rot. Bonds4

About N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]furan-2-carboxamide

N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]furan-2-carboxamide (PubChem CID 2738572) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]furan-2-carboxamide
PubChem CID2738572
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]furan-2-carboxamide
SMILESCN1CCN(c2ccc(CNC(=O)c3ccco3)cc2)CC1
InChIInChI=1S/C17H21N3O2/c1-19-8-10-20(11-9-19)15-6-4-14(5-7-15)13-18-17(21)16-3-2-12-22-16/h2-7,12H,8-11,13H2,1H3,(H,18,21)
InChIKeyKRVWPOWEABPSHY-UHFFFAOYSA-N
XLogP1.96
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]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

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]furan-2-carboxamide (CID 2738572) is N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]furan-2-carboxamide is CN1CCN(c2ccc(CNC(=O)c3ccco3)cc2)CC1.
What is the InChIKey of N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]furan-2-carboxamide?
The InChIKey is KRVWPOWEABPSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-19-8-10-20(11-9-19)15-6-4-14(5-7-15)13-18-17(21)16-3-2-12-22-16/h2-7,12H,8-11,13H2,1H3,(H,18,21).
What are the key properties of N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]furan-2-carboxamide?
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]furan-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 2738572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).