4-(4-chlorophenyl)-N'-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide

C18H28ClN5 — CID 111065570

IUPAC4-(4-chlorophenyl)-N'-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide
SMILESCCN1CCC(C/N=C(\N)N2CCN(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C18H28ClN5/c1-2-22-8-7-15(14-22)13-21-18(20)24-11-9-23(10-12-24)17-5-3-16(19)4-6-17/h3-6,15H,2,7-14H2,1H3,(H2,20,21)
InChIKeyKGJZQUKZTULJNC-UHFFFAOYSA-N
MW349.91 g/mol
LogP2.12
Rot. Bonds4

About 4-(4-chlorophenyl)-N'-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide

4-(4-chlorophenyl)-N'-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide (PubChem CID 111065570) has the molecular formula C18H28ClN5 and a molecular weight of 349.91 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N'-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N'-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide
PubChem CID111065570
Molecular FormulaC18H28ClN5
Molecular Weight349.91 g/mol
Exact Mass349.20
IUPAC Name4-(4-chlorophenyl)-N'-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide
SMILESCCN1CCC(C/N=C(\N)N2CCN(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C18H28ClN5/c1-2-22-8-7-15(14-22)13-21-18(20)24-11-9-23(10-12-24)17-5-3-16(19)4-6-17/h3-6,15H,2,7-14H2,1H3,(H2,20,21)
InChIKeyKGJZQUKZTULJNC-UHFFFAOYSA-N
XLogP2.12
TPSA48.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-chlorophenyl)-N'-[(1-ethylpyrrolidin-3-yl)methyl]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

4-(4-fluorophenyl)-N'-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111077564
4-(4-chlorophenyl)-N'-[2-(4-ethylpiperazin-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111057235
4-(4-chlorophenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
CID 110911931
4-(4-chlorophenyl)-N'-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110018465
N'-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111084722
N-ethyl-N'-[(1-ethylpyrrolidin-3-yl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111165694
4-(4-chlorophenyl)-N'-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]piperazine-1-carboximidamide
CID 110028858
2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-ethylacetamide
CID 111032106
4-(4-chlorophenyl)-N'-(2-ethyl-2-hydroxybutyl)piperazine-1-carboximidamide;hydroiodide
CID 111089094
4-(4-fluorophenyl)-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111803667
4-(4-chlorophenyl)-N'-(2-hydroxypropyl)piperazine-1-carboximidamide;hydroiodide
CID 111025315
N'-[(1-ethylpiperidin-3-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111084304

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N'-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide?
The IUPAC name of 4-(4-chlorophenyl)-N'-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide (CID 111065570) is 4-(4-chlorophenyl)-N'-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N'-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-(4-chlorophenyl)-N'-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide is CCN1CCC(C/N=C(\N)N2CCN(c3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of 4-(4-chlorophenyl)-N'-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide?
The InChIKey is KGJZQUKZTULJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN5/c1-2-22-8-7-15(14-22)13-21-18(20)24-11-9-23(10-12-24)17-5-3-16(19)4-6-17/h3-6,15H,2,7-14H2,1H3,(H2,20,21).
What are the key properties of 4-(4-chlorophenyl)-N'-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide?
4-(4-chlorophenyl)-N'-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide has a molecular weight of 349.91 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N'-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide is sourced from PubChem (CID 111065570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).