4-ethoxy-N'-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide

C19H32N4OS — CID 111959415

IUPAC4-ethoxy-N'-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N/C)NCC(c2cccs2)N2CCCC2)CC1
InChIInChI=1S/C19H32N4OS/c1-3-24-16-8-12-23(13-9-16)19(20-2)21-15-17(18-7-6-14-25-18)22-10-4-5-11-22/h6-7,14,16-17H,3-5,8-13,15H2,1-2H3,(H,20,21)
InChIKeyZPWPSLRUVWIAST-UHFFFAOYSA-N
MW364.56 g/mol
LogP2.96
Rot. Bonds6

About 4-ethoxy-N'-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide

4-ethoxy-N'-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide (PubChem CID 111959415) has the molecular formula C19H32N4OS and a molecular weight of 364.56 g/mol. Its IUPAC name is 4-ethoxy-N'-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-ethoxy-N'-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide
PubChem CID111959415
Molecular FormulaC19H32N4OS
Molecular Weight364.56 g/mol
Exact Mass364.23
IUPAC Name4-ethoxy-N'-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N/C)NCC(c2cccs2)N2CCCC2)CC1
InChIInChI=1S/C19H32N4OS/c1-3-24-16-8-12-23(13-9-16)19(20-2)21-15-17(18-7-6-14-25-18)22-10-4-5-11-22/h6-7,14,16-17H,3-5,8-13,15H2,1-2H3,(H,20,21)
InChIKeyZPWPSLRUVWIAST-UHFFFAOYSA-N
XLogP2.96
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 52.96
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'-methyl-4-(oxan-2-ylmethoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 109449296
ethyl 4-[N'-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111162567
N'-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109443585
N',3-dimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111143745
N'-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrrolidine-1-carboximidamide
CID 110933601
N-(2,2-diphenylethyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111958951
N'-methyl-3-(1-methylpyrazol-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111740527
N-[2-(2,6-dichlorophenyl)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111958911
N'-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109441687
4-ethoxy-N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide
CID 111958663
4-ethoxy-N'-methyl-N-(2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111958540
N'-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111959752

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N'-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide?
The IUPAC name of 4-ethoxy-N'-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide (CID 111959415) is 4-ethoxy-N'-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide.
What is the SMILES notation for 4-ethoxy-N'-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide?
The canonical SMILES for 4-ethoxy-N'-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide is CCOC1CCN(/C(=N/C)NCC(c2cccs2)N2CCCC2)CC1.
What is the InChIKey of 4-ethoxy-N'-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide?
The InChIKey is ZPWPSLRUVWIAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4OS/c1-3-24-16-8-12-23(13-9-16)19(20-2)21-15-17(18-7-6-14-25-18)22-10-4-5-11-22/h6-7,14,16-17H,3-5,8-13,15H2,1-2H3,(H,20,21).
What are the key properties of 4-ethoxy-N'-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide?
4-ethoxy-N'-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide has a molecular weight of 364.56 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N'-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111959415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).