1-(4-ethylphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine

C17H26N4O — CID 111054657

IUPAC1-(4-ethylphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine
SMILESCCc1ccc(N/C(N)=N/CCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H26N4O/c1-2-14-6-8-15(9-7-14)20-17(18)19-11-10-16(22)21-12-4-3-5-13-21/h6-9H,2-5,10-13H2,1H3,(H3,18,19,20)
InChIKeyAXJPVPLTAVGGSH-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.38
Rot. Bonds5

About 1-(4-ethylphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine

1-(4-ethylphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine (PubChem CID 111054657) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine
PubChem CID111054657
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name1-(4-ethylphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine
SMILESCCc1ccc(N/C(N)=N/CCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H26N4O/c1-2-14-6-8-15(9-7-14)20-17(18)19-11-10-16(22)21-12-4-3-5-13-21/h6-9H,2-5,10-13H2,1H3,(H3,18,19,20)
InChIKeyAXJPVPLTAVGGSH-UHFFFAOYSA-N
XLogP2.38
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111054626
2-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-1-(4-ethylphenyl)guanidine
CID 111810746
1-(4-ethylphenyl)-2-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-6-oxohexyl]guanidine;hydroiodide
CID 111098586
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111030532
1-(2-methoxyphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111054622
3-[[amino-(4-ethylanilino)methylidene]amino]-N-propylpropanamide
CID 111077891
2-(4-ethylanilino)-1-piperidin-1-ylethanone
CID 28583235
2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1-phenylguanidine
CID 110916862
1-(3-ethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111058321
2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-(4-ethylphenyl)guanidine
CID 111821897
propan-2-yl 3-[[amino-(4-ethylanilino)methylidene]amino]propanoate
CID 111037110
2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylguanidine
CID 115612309

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine?
The IUPAC name of 1-(4-ethylphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine (CID 111054657) is 1-(4-ethylphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine?
The canonical SMILES for 1-(4-ethylphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine is CCc1ccc(N/C(N)=N/CCC(=O)N2CCCCC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine?
The InChIKey is AXJPVPLTAVGGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-2-14-6-8-15(9-7-14)20-17(18)19-11-10-16(22)21-12-4-3-5-13-21/h6-9H,2-5,10-13H2,1H3,(H3,18,19,20).
What are the key properties of 1-(4-ethylphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine?
1-(4-ethylphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine has a molecular weight of 302.42 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine is sourced from PubChem (CID 111054657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).