2-(2-oxo-2-piperidin-1-ylethyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide

C20H25IN4O2 — CID 111598749

IUPAC2-(2-oxo-2-piperidin-1-ylethyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide
SMILESI.N/C(=N\CC(=O)N1CCCCC1)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H24N4O2.HI/c21-20(22-15-19(25)24-12-5-2-6-13-24)23-16-8-7-11-18(14-16)26-17-9-3-1-4-10-17;/h1,3-4,7-11,14H,2,5-6,12-13,15H2,(H3,21,22,23);1H
InChIKeyOVCNPAWWXVJTTR-UHFFFAOYSA-N
MW480.35 g/mol
LogP3.84
Rot. Bonds5

About 2-(2-oxo-2-piperidin-1-ylethyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide

2-(2-oxo-2-piperidin-1-ylethyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide (PubChem CID 111598749) has the molecular formula C20H25IN4O2 and a molecular weight of 480.35 g/mol. Its IUPAC name is 2-(2-oxo-2-piperidin-1-ylethyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-oxo-2-piperidin-1-ylethyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide
PubChem CID111598749
Molecular FormulaC20H25IN4O2
Molecular Weight480.35 g/mol
Exact Mass480.10
IUPAC Name2-(2-oxo-2-piperidin-1-ylethyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide
SMILESI.N/C(=N\CC(=O)N1CCCCC1)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H24N4O2.HI/c21-20(22-15-19(25)24-12-5-2-6-13-24)23-16-8-7-11-18(14-16)26-17-9-3-1-4-10-17;/h1,3-4,7-11,14H,2,5-6,12-13,15H2,(H3,21,22,23);1H
InChIKeyOVCNPAWWXVJTTR-UHFFFAOYSA-N
XLogP3.84
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.35
LogP ≤ 53.84
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-(3-ethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111058321
1-(3-methylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111040229
2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-phenylacetamide
CID 111599308
1-(3,4-dimethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111058301
2-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111597433
2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111599985
2-ethyl-1-(3-phenoxyphenyl)guanidine
CID 55068736
2-(cyclopropylmethyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111598069
2-[(1-hydroxycyclobutyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111801699
1-(3-phenoxyphenyl)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111599275
2-(2-oxo-2-piperidin-1-ylethyl)-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111058320
2-[(1-methylpyrrolidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine
CID 111599414

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-piperidin-1-ylethyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide?
The IUPAC name of 2-(2-oxo-2-piperidin-1-ylethyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide (CID 111598749) is 2-(2-oxo-2-piperidin-1-ylethyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(2-oxo-2-piperidin-1-ylethyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-(2-oxo-2-piperidin-1-ylethyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide is I.N/C(=N\CC(=O)N1CCCCC1)Nc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-(2-oxo-2-piperidin-1-ylethyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide?
The InChIKey is OVCNPAWWXVJTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2.HI/c21-20(22-15-19(25)24-12-5-2-6-13-24)23-16-8-7-11-18(14-16)26-17-9-3-1-4-10-17;/h1,3-4,7-11,14H,2,5-6,12-13,15H2,(H3,21,22,23);1H.
What are the key properties of 2-(2-oxo-2-piperidin-1-ylethyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide?
2-(2-oxo-2-piperidin-1-ylethyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide has a molecular weight of 480.35 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-piperidin-1-ylethyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111598749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).