1-(2-methylprop-2-enyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine

C17H25N5O — CID 111088953

IUPAC1-(2-methylprop-2-enyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine
SMILESC=C(C)CN/C(N)=N/CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H25N5O/c1-14(2)12-19-17(18)20-13-16(23)22-10-8-21(9-11-22)15-6-4-3-5-7-15/h3-7H,1,8-13H2,2H3,(H3,18,19,20)
InChIKeyXDVPWBPATRJDLE-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.82
Rot. Bonds5

About 1-(2-methylprop-2-enyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine

1-(2-methylprop-2-enyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine (PubChem CID 111088953) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine
PubChem CID111088953
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name1-(2-methylprop-2-enyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine
SMILESC=C(C)CN/C(N)=N/CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H25N5O/c1-14(2)12-19-17(18)20-13-16(23)22-10-8-21(9-11-22)15-6-4-3-5-7-15/h3-7H,1,8-13H2,2H3,(H3,18,19,20)
InChIKeyXDVPWBPATRJDLE-UHFFFAOYSA-N
XLogP0.82
TPSA73.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.82
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1-propylguanidine;hydroiodide
CID 111088896
1,3-diethyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine
CID 110917320
1-cyclopentyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 119120815
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-(4-phenylpiperazin-1-yl)methylidene]amino]acetamide;hydroiodide
CID 110961766
4-(4-fluorophenyl)-N'-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111088954
1-ethyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-prop-2-enylguanidine
CID 110981133
2-hexyl-1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111092108
1-ethyl-3-(2-methylpropyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 111178687
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1-phenylguanidine
CID 110916862
N-ethyl-N'-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111206908
1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 110371190

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine?
The IUPAC name of 1-(2-methylprop-2-enyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine (CID 111088953) is 1-(2-methylprop-2-enyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine?
The canonical SMILES for 1-(2-methylprop-2-enyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine is C=C(C)CN/C(N)=N/CC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(2-methylprop-2-enyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine?
The InChIKey is XDVPWBPATRJDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-14(2)12-19-17(18)20-13-16(23)22-10-8-21(9-11-22)15-6-4-3-5-7-15/h3-7H,1,8-13H2,2H3,(H3,18,19,20).
What are the key properties of 1-(2-methylprop-2-enyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine?
1-(2-methylprop-2-enyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine has a molecular weight of 315.42 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine is sourced from PubChem (CID 111088953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).