N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide

C16H26N4OS — CID 111027067

IUPACN'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide
SMILESN/C(=N\CC(c1cccs1)N1CCOCC1)N1CCCCC1
InChIInChI=1S/C16H26N4OS/c17-16(20-6-2-1-3-7-20)18-13-14(15-5-4-12-22-15)19-8-10-21-11-9-19/h4-5,12,14H,1-3,6-11,13H2,(H2,17,18)
InChIKeyWVUZLMAQTJGLDW-UHFFFAOYSA-N
MW322.48 g/mol
LogP1.92
Rot. Bonds4

About N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide

N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide (PubChem CID 111027067) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide
PubChem CID111027067
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC NameN'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide
SMILESN/C(=N\CC(c1cccs1)N1CCOCC1)N1CCCCC1
InChIInChI=1S/C16H26N4OS/c17-16(20-6-2-1-3-7-20)18-13-14(15-5-4-12-22-15)19-8-10-21-11-9-19/h4-5,12,14H,1-3,6-11,13H2,(H2,17,18)
InChIKeyWVUZLMAQTJGLDW-UHFFFAOYSA-N
XLogP1.92
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N'-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboximidamide
CID 111029048
N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111027061
4-(4-fluorophenyl)-N'-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperazine-1-carboximidamide
CID 111029896
N'-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide
CID 111087099
2-methyl-N'-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)morpholine-4-carboximidamide
CID 120661078
1,1-diethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111027017
1,1,3,3-tetramethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111027034
N'-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide;hydroiodide
CID 111098692
N'-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-4-carboximidamide
CID 111054719
1-(3-morpholin-4-ylpropyl)-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine
CID 111029856
1-(3,5-dimethylphenyl)-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111027009
N'-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrrolidine-1-carboximidamide
CID 110933601

Frequently Asked Questions

What is the IUPAC name of N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide?
The IUPAC name of N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide (CID 111027067) is N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide?
The canonical SMILES for N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide is N/C(=N\CC(c1cccs1)N1CCOCC1)N1CCCCC1.
What is the InChIKey of N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide?
The InChIKey is WVUZLMAQTJGLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS/c17-16(20-6-2-1-3-7-20)18-13-14(15-5-4-12-22-15)19-8-10-21-11-9-19/h4-5,12,14H,1-3,6-11,13H2,(H2,17,18).
What are the key properties of N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide?
N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide has a molecular weight of 322.48 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111027067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).