4-(furan-2-carbonyl)-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboximidamide

C24H34N6O2 — CID 111167001

IUPAC4-(furan-2-carbonyl)-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboximidamide
SMILESC/N=C(\NCC(C)N1CCN(c2ccccc2)CC1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C24H34N6O2/c1-20(27-10-12-28(13-11-27)21-7-4-3-5-8-21)19-26-24(25-2)30-16-14-29(15-17-30)23(31)22-9-6-18-32-22/h3-9,18,20H,10-17,19H2,1-2H3,(H,25,26)
InChIKeyBMJKKMJOJGOQEO-UHFFFAOYSA-N
MW438.58 g/mol
LogP1.82
Rot. Bonds5

About 4-(furan-2-carbonyl)-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboximidamide

4-(furan-2-carbonyl)-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboximidamide (PubChem CID 111167001) has the molecular formula C24H34N6O2 and a molecular weight of 438.58 g/mol. Its IUPAC name is 4-(furan-2-carbonyl)-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(furan-2-carbonyl)-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboximidamide
PubChem CID111167001
Molecular FormulaC24H34N6O2
Molecular Weight438.58 g/mol
Exact Mass438.27
IUPAC Name4-(furan-2-carbonyl)-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboximidamide
SMILESC/N=C(\NCC(C)N1CCN(c2ccccc2)CC1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C24H34N6O2/c1-20(27-10-12-28(13-11-27)21-7-4-3-5-8-21)19-26-24(25-2)30-16-14-29(15-17-30)23(31)22-9-6-18-32-22/h3-9,18,20H,10-17,19H2,1-2H3,(H,25,26)
InChIKeyBMJKKMJOJGOQEO-UHFFFAOYSA-N
XLogP1.82
TPSA67.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(furan-2-carbonyl)-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]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

methyl 1-[N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]carbamimidoyl]piperidine-4-carboxylate
CID 111254715
methyl 3-[[C-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-2-methylpropanoate;hydroiodide
CID 111167646
4-(furan-2-carbonyl)-N'-methyl-N-(3-methylbutyl)piperazine-1-carboximidamide
CID 111168423
4-(furan-2-carbonyl)-N'-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperazine-1-carboximidamide
CID 111168898
N-[2-(2,6-dichlorophenyl)propyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111167209
4-(furan-2-carbonyl)-N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperazine-1-carboximidamide
CID 111167067
N-(2-cyclohexyl-2-hydroxyethyl)-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 119130501
4-(furan-2-carbonyl)-N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111168066
N-[2-[benzyl(methyl)amino]ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111167108
2-[[C-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-methylacetamide
CID 119130465
4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]piperazine-1-carboximidamide
CID 111168183
furan-2-yl-(4-pentan-2-ylpiperazin-1-yl)methanone
CID 156542085

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-carbonyl)-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboximidamide?
The IUPAC name of 4-(furan-2-carbonyl)-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboximidamide (CID 111167001) is 4-(furan-2-carbonyl)-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-(furan-2-carbonyl)-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-(furan-2-carbonyl)-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboximidamide is C/N=C(\NCC(C)N1CCN(c2ccccc2)CC1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 4-(furan-2-carbonyl)-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboximidamide?
The InChIKey is BMJKKMJOJGOQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2/c1-20(27-10-12-28(13-11-27)21-7-4-3-5-8-21)19-26-24(25-2)30-16-14-29(15-17-30)23(31)22-9-6-18-32-22/h3-9,18,20H,10-17,19H2,1-2H3,(H,25,26).
What are the key properties of 4-(furan-2-carbonyl)-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboximidamide?
4-(furan-2-carbonyl)-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboximidamide has a molecular weight of 438.58 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-carbonyl)-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboximidamide is sourced from PubChem (CID 111167001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).