2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-(4-ethylphenyl)guanidine

C16H22N4O2 — CID 111821897

IUPAC2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-(4-ethylphenyl)guanidine
SMILESCCc1ccc(N/C(N)=N/CCN2C(=O)CCCC2=O)cc1
InChIInChI=1S/C16H22N4O2/c1-2-12-6-8-13(9-7-12)19-16(17)18-10-11-20-14(21)4-3-5-15(20)22/h6-9H,2-5,10-11H2,1H3,(H3,17,18,19)
InChIKeyGWYSSRDZHWYRJP-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.51
Rot. Bonds5

About 2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-(4-ethylphenyl)guanidine

2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-(4-ethylphenyl)guanidine (PubChem CID 111821897) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-(4-ethylphenyl)guanidine.

Molecular Properties

Compound Name2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-(4-ethylphenyl)guanidine
PubChem CID111821897
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-(4-ethylphenyl)guanidine
SMILESCCc1ccc(N/C(N)=N/CCN2C(=O)CCCC2=O)cc1
InChIInChI=1S/C16H22N4O2/c1-2-12-6-8-13(9-7-12)19-16(17)18-10-11-20-14(21)4-3-5-15(20)22/h6-9H,2-5,10-11H2,1H3,(H3,17,18,19)
InChIKeyGWYSSRDZHWYRJP-UHFFFAOYSA-N
XLogP1.51
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.51
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': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-(4-ethylphenyl)guanidine
CID 111091466
1-(4-ethylphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine
CID 111054657
1-(4-ethylphenyl)-2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine
CID 111052619
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]acetamide;hydroiodide
CID 111027931
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111030532
3-[[amino-(4-ethylanilino)methylidene]amino]-N-propylpropanamide
CID 111077891
1-(4-ethylphenyl)-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111035326
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine
CID 111812489
1-[(4-ethylphenyl)methyl]piperidine-2,6-dione
CID 82128665
2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111802723
1-(4-ethylphenyl)-2-[3-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111056937
1-(4-ethylphenyl)-2-(2-phenylsulfanylethyl)guanidine
CID 111033070

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-(4-ethylphenyl)guanidine?
The IUPAC name of 2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-(4-ethylphenyl)guanidine (CID 111821897) is 2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-(4-ethylphenyl)guanidine.
What is the SMILES notation for 2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-(4-ethylphenyl)guanidine?
The canonical SMILES for 2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-(4-ethylphenyl)guanidine is CCc1ccc(N/C(N)=N/CCN2C(=O)CCCC2=O)cc1.
What is the InChIKey of 2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-(4-ethylphenyl)guanidine?
The InChIKey is GWYSSRDZHWYRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-2-12-6-8-13(9-7-12)19-16(17)18-10-11-20-14(21)4-3-5-15(20)22/h6-9H,2-5,10-11H2,1H3,(H3,17,18,19).
What are the key properties of 2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-(4-ethylphenyl)guanidine?
2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-(4-ethylphenyl)guanidine has a molecular weight of 302.38 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-(4-ethylphenyl)guanidine is sourced from PubChem (CID 111821897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).