N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]-4-(2-methoxyphenyl)piperazine-1-carboximidamide

C21H30N4O3 — CID 111510558

IUPACN-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]-4-(2-methoxyphenyl)piperazine-1-carboximidamide
SMILESCCN/C(=N\CC(C)(O)c1ccco1)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C21H30N4O3/c1-4-22-20(23-16-21(2,26)19-10-7-15-28-19)25-13-11-24(12-14-25)17-8-5-6-9-18(17)27-3/h5-10,15,26H,4,11-14,16H2,1-3H3,(H,22,23)
InChIKeyGWTNDDTVWMTJRV-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.28
Rot. Bonds6

About N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]-4-(2-methoxyphenyl)piperazine-1-carboximidamide

N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]-4-(2-methoxyphenyl)piperazine-1-carboximidamide (PubChem CID 111510558) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]-4-(2-methoxyphenyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]-4-(2-methoxyphenyl)piperazine-1-carboximidamide
PubChem CID111510558
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]-4-(2-methoxyphenyl)piperazine-1-carboximidamide
SMILESCCN/C(=N\CC(C)(O)c1ccco1)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C21H30N4O3/c1-4-22-20(23-16-21(2,26)19-10-7-15-28-19)25-13-11-24(12-14-25)17-8-5-6-9-18(17)27-3/h5-10,15,26H,4,11-14,16H2,1-3H3,(H,22,23)
InChIKeyGWTNDDTVWMTJRV-UHFFFAOYSA-N
XLogP2.28
TPSA73.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]-4-(2-methoxyphenyl)piperazine-1-carboximidamide 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-ethyl-4-(2-methoxyphenyl)-N'-prop-2-ynylpiperazine-1-carboximidamide
CID 75420816
N-[2-[[ethylamino-[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111133630
N-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide
CID 110053292
4-benzyl-N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]piperidine-1-carboximidamide;hydroiodide
CID 111510995
N'-[3-(dimethylamino)propyl]-N-ethyl-4-(2-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111133312
N-ethyl-4-(2-methoxyphenyl)-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboximidamide
CID 111133787
N-ethyl-4-(2-methoxyphenyl)-N'-[(2-morpholin-4-ylphenyl)methyl]piperazine-1-carboximidamide
CID 111133563
N-ethyl-4-(2-methoxyphenyl)-N'-(2-methylsulfonylethyl)piperazine-1-carboximidamide
CID 111132845
N-ethyl-N'-[2-(2-methoxyethoxy)ethyl]-4-(2-methoxyphenyl)piperazine-1-carboximidamide
CID 111133433
N-ethyl-4-(2-methoxyphenyl)-N'-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carboximidamide
CID 111133661
2-[[ethylamino-[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]amino]-N-propylacetamide;hydroiodide
CID 111133838
N'-(4-ethoxybutyl)-N-ethyl-4-(2-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111133402

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]-4-(2-methoxyphenyl)piperazine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]-4-(2-methoxyphenyl)piperazine-1-carboximidamide (CID 111510558) is N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]-4-(2-methoxyphenyl)piperazine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]-4-(2-methoxyphenyl)piperazine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]-4-(2-methoxyphenyl)piperazine-1-carboximidamide is CCN/C(=N\CC(C)(O)c1ccco1)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]-4-(2-methoxyphenyl)piperazine-1-carboximidamide?
The InChIKey is GWTNDDTVWMTJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-4-22-20(23-16-21(2,26)19-10-7-15-28-19)25-13-11-24(12-14-25)17-8-5-6-9-18(17)27-3/h5-10,15,26H,4,11-14,16H2,1-3H3,(H,22,23).
What are the key properties of N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]-4-(2-methoxyphenyl)piperazine-1-carboximidamide?
N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]-4-(2-methoxyphenyl)piperazine-1-carboximidamide has a molecular weight of 386.50 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]-4-(2-methoxyphenyl)piperazine-1-carboximidamide is sourced from PubChem (CID 111510558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).