2-[(6-oxopiperidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide

C19H23IN4O2 — CID 120606157

IUPAC2-[(6-oxopiperidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
SMILESI.N/C(=N\CC1CCCC(=O)N1)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H22N4O2.HI/c20-19(21-13-15-7-5-11-18(24)22-15)23-14-6-4-10-17(12-14)25-16-8-2-1-3-9-16;/h1-4,6,8-10,12,15H,5,7,11,13H2,(H,22,24)(H3,20,21,23);1H
InChIKeyPOMAWXLVROLRSY-UHFFFAOYSA-N
MW466.32 g/mol
LogP3.49
Rot. Bonds5

About 2-[(6-oxopiperidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide

2-[(6-oxopiperidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide (PubChem CID 120606157) has the molecular formula C19H23IN4O2 and a molecular weight of 466.32 g/mol. Its IUPAC name is 2-[(6-oxopiperidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[(6-oxopiperidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
PubChem CID120606157
Molecular FormulaC19H23IN4O2
Molecular Weight466.32 g/mol
Exact Mass466.09
IUPAC Name2-[(6-oxopiperidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
SMILESI.N/C(=N\CC1CCCC(=O)N1)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H22N4O2.HI/c20-19(21-13-15-7-5-11-18(24)22-15)23-14-6-4-10-17(12-14)25-16-8-2-1-3-9-16;/h1-4,6,8-10,12,15H,5,7,11,13H2,(H,22,24)(H3,20,21,23);1H
InChIKeyPOMAWXLVROLRSY-UHFFFAOYSA-N
XLogP3.49
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.32
LogP ≤ 53.49
H-Bond Donors ≤ 53
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

2-[(6-oxopiperidin-2-yl)methyl]-1-phenylguanidine;hydroiodide
CID 120606169
2-[(6-oxopiperidin-2-yl)methyl]-1-phenylguanidine
CID 120606170
2-(cyclopropylmethyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111598069
2-[(6-oxopiperidin-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 120606178
2-[(1-methylpyrrolidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine
CID 111599414
2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-phenylacetamide
CID 111599308
2-(2-oxo-2-piperidin-1-ylethyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111598749
2-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111597433
2-ethyl-1-(3-phenoxyphenyl)guanidine
CID 55068736
2-[(1-hydroxycyclobutyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111801699
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3-phenoxyphenyl)guanidine
CID 111599290
4-[[amino-(3-phenoxyanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
CID 111599045

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxopiperidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide?
The IUPAC name of 2-[(6-oxopiperidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide (CID 120606157) is 2-[(6-oxopiperidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[(6-oxopiperidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-[(6-oxopiperidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide is I.N/C(=N\CC1CCCC(=O)N1)Nc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-[(6-oxopiperidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide?
The InChIKey is POMAWXLVROLRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2.HI/c20-19(21-13-15-7-5-11-18(24)22-15)23-14-6-4-10-17(12-14)25-16-8-2-1-3-9-16;/h1-4,6,8-10,12,15H,5,7,11,13H2,(H,22,24)(H3,20,21,23);1H.
What are the key properties of 2-[(6-oxopiperidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide?
2-[(6-oxopiperidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide has a molecular weight of 466.32 g/mol, XLogP of 3.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxopiperidin-2-yl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide is sourced from PubChem (CID 120606157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).