N'-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide

C19H30IN5O — CID 111092157

IUPACN'-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCC(=O)N1CCN(c2ccccc2)CC1)N1CCCCC1
InChIInChI=1S/C19H29N5O.HI/c20-19(24-11-5-2-6-12-24)21-10-9-18(25)23-15-13-22(14-16-23)17-7-3-1-4-8-17;/h1,3-4,7-8H,2,5-6,9-16H2,(H2,20,21);1H
InChIKeyWEBSZPISYPWUHX-UHFFFAOYSA-N
MW471.39 g/mol
LogP2.14
Rot. Bonds4

About N'-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide

N'-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111092157) has the molecular formula C19H30IN5O and a molecular weight of 471.39 g/mol. Its IUPAC name is N'-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111092157
Molecular FormulaC19H30IN5O
Molecular Weight471.39 g/mol
Exact Mass471.15
IUPAC NameN'-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCC(=O)N1CCN(c2ccccc2)CC1)N1CCCCC1
InChIInChI=1S/C19H29N5O.HI/c20-19(24-11-5-2-6-12-24)21-10-9-18(25)23-15-13-22(14-16-23)17-7-3-1-4-8-17;/h1,3-4,7-8H,2,5-6,9-16H2,(H2,20,21);1H
InChIKeyWEBSZPISYPWUHX-UHFFFAOYSA-N
XLogP2.14
TPSA65.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.39
LogP ≤ 52.14
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N'-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide
CID 111092132
N'-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111092153
2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1-phenylguanidine
CID 110916862
N-ethyl-N'-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-phenylpiperazine-1-carboximidamide
CID 110961443
4-(4-fluorophenyl)-N'-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111088954
N'-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]thiomorpholine-4-carboximidamide
CID 111072399
4-(4-fluorophenyl)-N'-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperazine-1-carboximidamide
CID 111092220
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
4-(4-fluorophenyl)-N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboximidamide
CID 111040310
N'-ethyl-4-phenylpiperazine-1-carboximidamide
CID 55064093
1-(3,5-dimethylphenyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111092098
1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethane-1,2-dione
CID 2200683

Frequently Asked Questions

What is the IUPAC name of N'-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide (CID 111092157) is N'-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide is I.N/C(=N\CCC(=O)N1CCN(c2ccccc2)CC1)N1CCCCC1.
What is the InChIKey of N'-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is WEBSZPISYPWUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O.HI/c20-19(24-11-5-2-6-12-24)21-10-9-18(25)23-15-13-22(14-16-23)17-7-3-1-4-8-17;/h1,3-4,7-8H,2,5-6,9-16H2,(H2,20,21);1H.
What are the key properties of N'-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide?
N'-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 471.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111092157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).