4-(4-chlorophenyl)-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide

C18H27ClIN5O — CID 111023124

IUPAC4-(4-chlorophenyl)-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCN1CCCC1=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H26ClN5O.HI/c19-15-4-6-16(7-5-15)22-11-13-24(14-12-22)18(20)21-8-2-10-23-9-1-3-17(23)25;/h4-7H,1-3,8-14H2,(H2,20,21);1H
InChIKeyZFHMKASHOKYXQZ-UHFFFAOYSA-N
MW491.81 g/mol
LogP2.41
Rot. Bonds5

About 4-(4-chlorophenyl)-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide

4-(4-chlorophenyl)-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide (PubChem CID 111023124) has the molecular formula C18H27ClIN5O and a molecular weight of 491.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide
PubChem CID111023124
Molecular FormulaC18H27ClIN5O
Molecular Weight491.81 g/mol
Exact Mass491.09
IUPAC Name4-(4-chlorophenyl)-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCN1CCCC1=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H26ClN5O.HI/c19-15-4-6-16(7-5-15)22-11-13-24(14-12-22)18(20)21-8-2-10-23-9-1-3-17(23)25;/h4-7H,1-3,8-14H2,(H2,20,21);1H
InChIKeyZFHMKASHOKYXQZ-UHFFFAOYSA-N
XLogP2.41
TPSA65.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.81
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-N'-[3-(2-oxoazepan-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111030659
4-(4-chlorophenyl)-N'-(3-methylsulfonylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 111067213
4-(4-chlorophenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
CID 110911931
N'-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111023136
1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 118727897
4-(4-chlorophenyl)-N'-(2-sulfamoylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111046626
4-(4-chlorophenyl)-N'-[2-(4-ethylpiperazin-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111057235
4-(4-chlorophenyl)-N'-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111071067
N'-but-3-ynyl-4-(4-chlorophenyl)piperazine-1-carboximidamide
CID 119147787
4-(4-chlorophenyl)-N'-[3-(oxan-2-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 110033350
4-(4-chlorophenyl)-N'-(2-thiomorpholin-4-ylethyl)piperazine-1-carboximidamide
CID 119146625
N'-[3-(2-oxoazepan-1-yl)propyl]thiomorpholine-4-carboximidamide
CID 111030658

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(4-chlorophenyl)-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide (CID 111023124) is 4-(4-chlorophenyl)-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(4-chlorophenyl)-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(4-chlorophenyl)-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide is I.N/C(=N\CCCN1CCCC1=O)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide?
The InChIKey is ZFHMKASHOKYXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN5O.HI/c19-15-4-6-16(7-5-15)22-11-13-24(14-12-22)18(20)21-8-2-10-23-9-1-3-17(23)25;/h4-7H,1-3,8-14H2,(H2,20,21);1H.
What are the key properties of 4-(4-chlorophenyl)-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide?
4-(4-chlorophenyl)-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide has a molecular weight of 491.81 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111023124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).