N-(5-fluoro-2-hydroxyphenyl)-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboximidamide

C19H27FN4O2 — CID 134099675

IUPACN-(5-fluoro-2-hydroxyphenyl)-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboximidamide
SMILESO=C1CCCN1CCC/N=C(/Nc1cc(F)ccc1O)N1CCCCC1
InChIInChI=1S/C19H27FN4O2/c20-15-7-8-17(25)16(14-15)22-19(24-10-2-1-3-11-24)21-9-5-13-23-12-4-6-18(23)26/h7-8,14,25H,1-6,9-13H2,(H,21,22)
InChIKeyVNLXXQGWZMDYNH-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.80
Rot. Bonds5

About N-(5-fluoro-2-hydroxyphenyl)-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboximidamide

N-(5-fluoro-2-hydroxyphenyl)-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboximidamide (PubChem CID 134099675) has the molecular formula C19H27FN4O2 and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(5-fluoro-2-hydroxyphenyl)-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-(5-fluoro-2-hydroxyphenyl)-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboximidamide
PubChem CID134099675
Molecular FormulaC19H27FN4O2
Molecular Weight362.45 g/mol
Exact Mass362.21
IUPAC NameN-(5-fluoro-2-hydroxyphenyl)-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboximidamide
SMILESO=C1CCCN1CCC/N=C(/Nc1cc(F)ccc1O)N1CCCCC1
InChIInChI=1S/C19H27FN4O2/c20-15-7-8-17(25)16(14-15)22-19(24-10-2-1-3-11-24)21-9-5-13-23-12-4-6-18(23)26/h7-8,14,25H,1-6,9-13H2,(H,21,22)
InChIKeyVNLXXQGWZMDYNH-UHFFFAOYSA-N
XLogP2.80
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(5-fluoro-2-hydroxyphenyl)-2-(naphthalen-1-ylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 134099684
1-[2-(2,5-difluorophenyl)ethyl]-3-ethyl-2-[3-(2-oxoazepan-1-yl)propyl]guanidine
CID 111965729
1-(2-hydroxy-5-phenylphenyl)-3-(2-methylcyclohexyl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 134111480
1-ethyl-3-[2-(3-fluorophenyl)ethyl]-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111147042
1-[(3-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 108898444
N-ethyl-4-methyl-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboximidamide
CID 111209916
1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 111968409
1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 111787969
2-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111597433
N'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-N-phenylpiperidine-1-carboximidamide
CID 111052747
N-(2-bromo-5-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 113255444
1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111147806

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-hydroxyphenyl)-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboximidamide?
The IUPAC name of N-(5-fluoro-2-hydroxyphenyl)-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboximidamide (CID 134099675) is N-(5-fluoro-2-hydroxyphenyl)-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboximidamide.
What is the SMILES notation for N-(5-fluoro-2-hydroxyphenyl)-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboximidamide?
The canonical SMILES for N-(5-fluoro-2-hydroxyphenyl)-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboximidamide is O=C1CCCN1CCC/N=C(/Nc1cc(F)ccc1O)N1CCCCC1.
What is the InChIKey of N-(5-fluoro-2-hydroxyphenyl)-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboximidamide?
The InChIKey is VNLXXQGWZMDYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O2/c20-15-7-8-17(25)16(14-15)22-19(24-10-2-1-3-11-24)21-9-5-13-23-12-4-6-18(23)26/h7-8,14,25H,1-6,9-13H2,(H,21,22).
What are the key properties of N-(5-fluoro-2-hydroxyphenyl)-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboximidamide?
N-(5-fluoro-2-hydroxyphenyl)-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboximidamide has a molecular weight of 362.45 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-hydroxyphenyl)-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboximidamide is sourced from PubChem (CID 134099675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).