2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-(2-phenylethyl)guanidine

C16H24N4O — CID 111031798

IUPAC2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-(2-phenylethyl)guanidine
SMILESN/C(=N\CCC(=O)N1CCCC1)NCCc1ccccc1
InChIInChI=1S/C16H24N4O/c17-16(18-10-8-14-6-2-1-3-7-14)19-11-9-15(21)20-12-4-5-13-20/h1-3,6-7H,4-5,8-13H2,(H3,17,18,19)
InChIKeyPIJJOHZOWNVIQZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.15
Rot. Bonds6

About 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-(2-phenylethyl)guanidine

2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-(2-phenylethyl)guanidine (PubChem CID 111031798) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-(2-phenylethyl)guanidine
PubChem CID111031798
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-(2-phenylethyl)guanidine
SMILESN/C(=N\CCC(=O)N1CCCC1)NCCc1ccccc1
InChIInChI=1S/C16H24N4O/c17-16(18-10-8-14-6-2-1-3-7-14)19-11-9-15(21)20-12-4-5-13-20/h1-3,6-7H,4-5,8-13H2,(H3,17,18,19)
InChIKeyPIJJOHZOWNVIQZ-UHFFFAOYSA-N
XLogP1.15
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.15
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

2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(2-phenylethyl)guanidine
CID 111811866
1-(2-phenylethyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034753
1,2-bis(2-phenylethyl)guanidine
CID 111022877
N-[3-[[[amino-(2-phenylethylamino)methylidene]amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydroiodide
CID 111076617
1-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(4-phenylbutan-2-yl)guanidine
CID 111172137
2-[3-(4-benzylpiperazin-1-yl)propyl]-1-(2-phenylethyl)guanidine
CID 111059119
3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177469
2-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111085392
1-(4-ethylphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine
CID 111054657
3-[[amino-(2-phenylethylamino)methylidene]amino]-N-(4-bromophenyl)propanamide;hydroiodide
CID 111076856
(3S)-1-[1-(2-aminoacetyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95435881
1-(azepan-1-yl)-3-(3-phenylpropylamino)propan-1-one
CID 109030919

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-(2-phenylethyl)guanidine?
The IUPAC name of 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-(2-phenylethyl)guanidine (CID 111031798) is 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-(2-phenylethyl)guanidine.
What is the SMILES notation for 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-(2-phenylethyl)guanidine?
The canonical SMILES for 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-(2-phenylethyl)guanidine is N/C(=N\CCC(=O)N1CCCC1)NCCc1ccccc1.
What is the InChIKey of 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-(2-phenylethyl)guanidine?
The InChIKey is PIJJOHZOWNVIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c17-16(18-10-8-14-6-2-1-3-7-14)19-11-9-15(21)20-12-4-5-13-20/h1-3,6-7H,4-5,8-13H2,(H3,17,18,19).
What are the key properties of 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-(2-phenylethyl)guanidine?
2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-(2-phenylethyl)guanidine has a molecular weight of 288.39 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-(2-phenylethyl)guanidine is sourced from PubChem (CID 111031798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).