(3R)-N-ethyl-3-hydroxy-N'-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide

C14H27IN4O2 — CID 111550349

IUPAC(3R)-N-ethyl-3-hydroxy-N'-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(=O)N1CCCCC1)N1CC[C@@H](O)C1.I
InChIInChI=1S/C14H26N4O2.HI/c1-2-15-14(18-9-6-12(19)11-18)16-10-13(20)17-7-4-3-5-8-17;/h12,19H,2-11H2,1H3,(H,15,16);1H/t12-;/m1./s1
InChIKeySZMHQZBPLGFSHT-UTONKHPSSA-N
MW410.30 g/mol
LogP0.65
Rot. Bonds3

About (3R)-N-ethyl-3-hydroxy-N'-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide

(3R)-N-ethyl-3-hydroxy-N'-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111550349) has the molecular formula C14H27IN4O2 and a molecular weight of 410.30 g/mol. Its IUPAC name is (3R)-N-ethyl-3-hydroxy-N'-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name(3R)-N-ethyl-3-hydroxy-N'-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111550349
Molecular FormulaC14H27IN4O2
Molecular Weight410.30 g/mol
Exact Mass410.12
IUPAC Name(3R)-N-ethyl-3-hydroxy-N'-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(=O)N1CCCCC1)N1CC[C@@H](O)C1.I
InChIInChI=1S/C14H26N4O2.HI/c1-2-15-14(18-9-6-12(19)11-18)16-10-13(20)17-7-4-3-5-8-17;/h12,19H,2-11H2,1H3,(H,15,16);1H/t12-;/m1./s1
InChIKeySZMHQZBPLGFSHT-UTONKHPSSA-N
XLogP0.65
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.30
LogP ≤ 50.65
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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Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-3-hydroxy-N'-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of (3R)-N-ethyl-3-hydroxy-N'-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide (CID 111550349) is (3R)-N-ethyl-3-hydroxy-N'-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for (3R)-N-ethyl-3-hydroxy-N'-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for (3R)-N-ethyl-3-hydroxy-N'-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC(=O)N1CCCCC1)N1CC[C@@H](O)C1.I.
What is the InChIKey of (3R)-N-ethyl-3-hydroxy-N'-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is SZMHQZBPLGFSHT-UTONKHPSSA-N. The full InChI is InChI=1S/C14H26N4O2.HI/c1-2-15-14(18-9-6-12(19)11-18)16-10-13(20)17-7-4-3-5-8-17;/h12,19H,2-11H2,1H3,(H,15,16);1H/t12-;/m1./s1.
What are the key properties of (3R)-N-ethyl-3-hydroxy-N'-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide?
(3R)-N-ethyl-3-hydroxy-N'-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 410.30 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-3-hydroxy-N'-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111550349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).