1-ethyl-3-(2-methyl-3-piperidin-1-ylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide

C18H36IN5O — CID 111929920

IUPAC1-ethyl-3-(2-methyl-3-piperidin-1-ylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(=O)N1CCCC1)NCC(C)CN1CCCCC1.I
InChIInChI=1S/C18H35N5O.HI/c1-3-19-18(21-14-17(24)23-11-7-8-12-23)20-13-16(2)15-22-9-5-4-6-10-22;/h16H,3-15H2,1-2H3,(H2,19,20,21);1H
InChIKeyPXDMIACBLYQTIY-UHFFFAOYSA-N
MW465.42 g/mol
LogP1.90
Rot. Bonds7

About 1-ethyl-3-(2-methyl-3-piperidin-1-ylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide

1-ethyl-3-(2-methyl-3-piperidin-1-ylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide (PubChem CID 111929920) has the molecular formula C18H36IN5O and a molecular weight of 465.42 g/mol. Its IUPAC name is 1-ethyl-3-(2-methyl-3-piperidin-1-ylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-(2-methyl-3-piperidin-1-ylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
PubChem CID111929920
Molecular FormulaC18H36IN5O
Molecular Weight465.42 g/mol
Exact Mass465.20
IUPAC Name1-ethyl-3-(2-methyl-3-piperidin-1-ylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(=O)N1CCCC1)NCC(C)CN1CCCCC1.I
InChIInChI=1S/C18H35N5O.HI/c1-3-19-18(21-14-17(24)23-11-7-8-12-23)20-13-16(2)15-22-9-5-4-6-10-22;/h16H,3-15H2,1-2H3,(H2,19,20,21);1H
InChIKeyPXDMIACBLYQTIY-UHFFFAOYSA-N
XLogP1.90
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.42
LogP ≤ 51.90
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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-(2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111178729
1-ethyl-3-(2-oxo-2-piperidin-1-ylethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111929192
1-ethyl-2-(2-methylpropyl)-3-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111181088
1-ethyl-3-(3-methylbutyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 110977508
1-butan-2-yl-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 110945721
1-[3-(azepan-1-yl)propyl]-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111325404
1-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 111929473
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111605270
2-(2,2-diethyl-4-hydroxybutyl)-1-ethyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111715863
1-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-pentylguanidine;hydroiodide
CID 111128816
1-ethyl-3-(5-methylhexyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111579811
1-(2-anilino-3-methylbutyl)-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111929022

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methyl-3-piperidin-1-ylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-(2-methyl-3-piperidin-1-ylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide (CID 111929920) is 1-ethyl-3-(2-methyl-3-piperidin-1-ylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-(2-methyl-3-piperidin-1-ylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-(2-methyl-3-piperidin-1-ylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide is CCN/C(=N\CC(=O)N1CCCC1)NCC(C)CN1CCCCC1.I.
What is the InChIKey of 1-ethyl-3-(2-methyl-3-piperidin-1-ylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide?
The InChIKey is PXDMIACBLYQTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N5O.HI/c1-3-19-18(21-14-17(24)23-11-7-8-12-23)20-13-16(2)15-22-9-5-4-6-10-22;/h16H,3-15H2,1-2H3,(H2,19,20,21);1H.
What are the key properties of 1-ethyl-3-(2-methyl-3-piperidin-1-ylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide?
1-ethyl-3-(2-methyl-3-piperidin-1-ylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide has a molecular weight of 465.42 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methyl-3-piperidin-1-ylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111929920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).