1-(4-methoxyphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine;hydroiodide

C16H25IN4O2 — CID 111054626

IUPAC1-(4-methoxyphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine;hydroiodide
SMILESCOc1ccc(N/C(N)=N/CCC(=O)N2CCCCC2)cc1.I
InChIInChI=1S/C16H24N4O2.HI/c1-22-14-7-5-13(6-8-14)19-16(17)18-10-9-15(21)20-11-3-2-4-12-20;/h5-8H,2-4,9-12H2,1H3,(H3,17,18,19);1H
InChIKeyXOJRLECURBUFPD-UHFFFAOYSA-N
MW432.31 g/mol
LogP2.44
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine;hydroiodide

1-(4-methoxyphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine;hydroiodide (PubChem CID 111054626) has the molecular formula C16H25IN4O2 and a molecular weight of 432.31 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine;hydroiodide
PubChem CID111054626
Molecular FormulaC16H25IN4O2
Molecular Weight432.31 g/mol
Exact Mass432.10
IUPAC Name1-(4-methoxyphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine;hydroiodide
SMILESCOc1ccc(N/C(N)=N/CCC(=O)N2CCCCC2)cc1.I
InChIInChI=1S/C16H24N4O2.HI/c1-22-14-7-5-13(6-8-14)19-16(17)18-10-9-15(21)20-11-3-2-4-12-20;/h5-8H,2-4,9-12H2,1H3,(H3,17,18,19);1H
InChIKeyXOJRLECURBUFPD-UHFFFAOYSA-N
XLogP2.44
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.31
LogP ≤ 52.44
H-Bond Donors ≤ 52
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

1-(4-ethylphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine
CID 111054657
1-(2-methoxyphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111054622
1-(4-methoxyphenyl)-2-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-6-oxohexyl]guanidine;hydroiodide
CID 111098552
N-[3-[[amino-(4-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752383
2-(2-oxo-2-pyrrolidin-1-ylethyl)-1-(4-propan-2-yloxyphenyl)guanidine
CID 111040300
2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111057155
2-(2-oxo-2-piperidin-1-ylethyl)-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111058320
1-(2,5-dimethoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111058327
(2S)-N-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 94447591
2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-(4-methoxyphenyl)guanidine
CID 111091424
2-(3-cyclopentylpropyl)-1-(4-methoxyphenyl)guanidine
CID 111062739
1-(4-methoxyphenyl)-2-pent-3-enylguanidine
CID 111813726

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-(4-methoxyphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine;hydroiodide (CID 111054626) is 1-(4-methoxyphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine;hydroiodide is COc1ccc(N/C(N)=N/CCC(=O)N2CCCCC2)cc1.I.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine;hydroiodide?
The InChIKey is XOJRLECURBUFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2.HI/c1-22-14-7-5-13(6-8-14)19-16(17)18-10-9-15(21)20-11-3-2-4-12-20;/h5-8H,2-4,9-12H2,1H3,(H3,17,18,19);1H.
What are the key properties of 1-(4-methoxyphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine;hydroiodide?
1-(4-methoxyphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine;hydroiodide has a molecular weight of 432.31 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111054626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).