2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(2-phenylethyl)guanidine

C20H31N5O — CID 111811866

IUPAC2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(2-phenylethyl)guanidine
SMILESN/C(=N\CCN1CCN(C(=O)C2CCC2)CC1)NCCc1ccccc1
InChIInChI=1S/C20H31N5O/c21-20(22-10-9-17-5-2-1-3-6-17)23-11-12-24-13-15-25(16-14-24)19(26)18-7-4-8-18/h1-3,5-6,18H,4,7-16H2,(H3,21,22,23)
InChIKeyCJFFFGOPHYJBMD-UHFFFAOYSA-N
MW357.50 g/mol
LogP1.08
Rot. Bonds7

About 2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(2-phenylethyl)guanidine

2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(2-phenylethyl)guanidine (PubChem CID 111811866) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(2-phenylethyl)guanidine
PubChem CID111811866
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC Name2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(2-phenylethyl)guanidine
SMILESN/C(=N\CCN1CCN(C(=O)C2CCC2)CC1)NCCc1ccccc1
InChIInChI=1S/C20H31N5O/c21-20(22-10-9-17-5-2-1-3-6-17)23-11-12-24-13-15-25(16-14-24)19(26)18-7-4-8-18/h1-3,5-6,18H,4,7-16H2,(H3,21,22,23)
InChIKeyCJFFFGOPHYJBMD-UHFFFAOYSA-N
XLogP1.08
TPSA73.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.08
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'}

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Related Compounds

2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111567241
2-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111834922
2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-(2-phenylethyl)guanidine
CID 111031798
1-(2-phenylethyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034753
N'-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide
CID 119147661
4-(cyclopentanecarbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 23819080
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(4-methylphenyl)guanidine
CID 111811838
2-[3-(4-benzylpiperazin-1-yl)propyl]-1-(2-phenylethyl)guanidine
CID 111059119
N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide
CID 111806060
1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881329
1-(2-phenylethyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111059039
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-cyclohexylguanidine;hydroiodide
CID 111567374

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(2-phenylethyl)guanidine?
The IUPAC name of 2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(2-phenylethyl)guanidine (CID 111811866) is 2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(2-phenylethyl)guanidine.
What is the SMILES notation for 2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(2-phenylethyl)guanidine?
The canonical SMILES for 2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(2-phenylethyl)guanidine is N/C(=N\CCN1CCN(C(=O)C2CCC2)CC1)NCCc1ccccc1.
What is the InChIKey of 2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(2-phenylethyl)guanidine?
The InChIKey is CJFFFGOPHYJBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O/c21-20(22-10-9-17-5-2-1-3-6-17)23-11-12-24-13-15-25(16-14-24)19(26)18-7-4-8-18/h1-3,5-6,18H,4,7-16H2,(H3,21,22,23).
What are the key properties of 2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(2-phenylethyl)guanidine?
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(2-phenylethyl)guanidine has a molecular weight of 357.50 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(2-phenylethyl)guanidine is sourced from PubChem (CID 111811866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).