2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1-phenylguanidine

C20H25N5O — CID 110916862

IUPAC2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1-phenylguanidine
SMILESN/C(=N\CCC(=O)N1CCN(c2ccccc2)CC1)Nc1ccccc1
InChIInChI=1S/C20H25N5O/c21-20(23-17-7-3-1-4-8-17)22-12-11-19(26)25-15-13-24(14-16-25)18-9-5-2-6-10-18/h1-10H,11-16H2,(H3,21,22,23)
InChIKeyPCKPVDMMOJLHSE-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.15
Rot. Bonds5

About 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1-phenylguanidine

2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1-phenylguanidine (PubChem CID 110916862) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1-phenylguanidine
PubChem CID110916862
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1-phenylguanidine
SMILESN/C(=N\CCC(=O)N1CCN(c2ccccc2)CC1)Nc1ccccc1
InChIInChI=1S/C20H25N5O/c21-20(23-17-7-3-1-4-8-17)22-12-11-19(26)25-15-13-24(14-16-25)18-9-5-2-6-10-18/h1-10H,11-16H2,(H3,21,22,23)
InChIKeyPCKPVDMMOJLHSE-UHFFFAOYSA-N
XLogP2.15
TPSA73.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.15
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

1-(3,5-dimethylphenyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111092098
2-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide
CID 110927943
N'-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111092157
1-(4-methylphenyl)-2-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111095879
2-hexyl-1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111092108
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
3-methyl-N'-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide
CID 111092132
1-amino-2-(3-morpholin-4-yl-3-oxopropyl)-3-phenylguanidine
CID 116516298
1-(4-ethylphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine
CID 111054657
N-ethyl-N'-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-phenylpiperazine-1-carboximidamide
CID 110961443
N'-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111092153
1-(3-methoxyphenyl)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]guanidine
CID 111092164

Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1-phenylguanidine?
The IUPAC name of 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1-phenylguanidine (CID 110916862) is 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1-phenylguanidine.
What is the SMILES notation for 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1-phenylguanidine?
The canonical SMILES for 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1-phenylguanidine is N/C(=N\CCC(=O)N1CCN(c2ccccc2)CC1)Nc1ccccc1.
What is the InChIKey of 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1-phenylguanidine?
The InChIKey is PCKPVDMMOJLHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c21-20(23-17-7-3-1-4-8-17)22-12-11-19(26)25-15-13-24(14-16-25)18-9-5-2-6-10-18/h1-10H,11-16H2,(H3,21,22,23).
What are the key properties of 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1-phenylguanidine?
2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1-phenylguanidine has a molecular weight of 351.45 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1-phenylguanidine is sourced from PubChem (CID 110916862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).