N'-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboximidamide

C17H28N4OS — CID 111029048

IUPACN'-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboximidamide
SMILESCC1CCN(C(C/N=C(\N)N2CCOCC2)c2cccs2)CC1
InChIInChI=1S/C17H28N4OS/c1-14-4-6-20(7-5-14)15(16-3-2-12-23-16)13-19-17(18)21-8-10-22-11-9-21/h2-3,12,14-15H,4-11,13H2,1H3,(H2,18,19)
InChIKeyAEYBEWWORQNOEI-UHFFFAOYSA-N
MW336.51 g/mol
LogP2.17
Rot. Bonds4

About N'-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboximidamide

N'-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboximidamide (PubChem CID 111029048) has the molecular formula C17H28N4OS and a molecular weight of 336.51 g/mol. Its IUPAC name is N'-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboximidamide
PubChem CID111029048
Molecular FormulaC17H28N4OS
Molecular Weight336.51 g/mol
Exact Mass336.20
IUPAC NameN'-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboximidamide
SMILESCC1CCN(C(C/N=C(\N)N2CCOCC2)c2cccs2)CC1
InChIInChI=1S/C17H28N4OS/c1-14-4-6-20(7-5-14)15(16-3-2-12-23-16)13-19-17(18)21-8-10-22-11-9-21/h2-3,12,14-15H,4-11,13H2,1H3,(H2,18,19)
InChIKeyAEYBEWWORQNOEI-UHFFFAOYSA-N
XLogP2.17
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.51
LogP ≤ 52.17
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-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide
CID 111027067
2-methyl-N'-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)morpholine-4-carboximidamide
CID 120661078
2-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-1-propan-2-ylguanidine
CID 111029058
2-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-1-propan-2-ylguanidine;hydroiodide
CID 111029057
N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111027061
N'-[2-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111086012
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-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide
CID 110919680
3-methyl-N'-(2-morpholin-4-yl-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111060872
N'-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110919679
1-(2-methoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]guanidine
CID 111029042

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboximidamide (CID 111029048) is N'-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboximidamide is CC1CCN(C(C/N=C(\N)N2CCOCC2)c2cccs2)CC1.
What is the InChIKey of N'-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboximidamide?
The InChIKey is AEYBEWWORQNOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4OS/c1-14-4-6-20(7-5-14)15(16-3-2-12-23-16)13-19-17(18)21-8-10-22-11-9-21/h2-3,12,14-15H,4-11,13H2,1H3,(H2,18,19).
What are the key properties of N'-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboximidamide?
N'-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboximidamide has a molecular weight of 336.51 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111029048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).