N'-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide

C20H33IN4OS — CID 111153894

IUPACN'-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCC(=O)N1CCc2sccc2C1)N1CC(C)CC(C)C1.I
InChIInChI=1S/C20H32N4OS.HI/c1-4-21-20(24-12-15(2)11-16(3)13-24)22-8-5-19(25)23-9-6-18-17(14-23)7-10-26-18;/h7,10,15-16H,4-6,8-9,11-14H2,1-3H3,(H,21,22);1H
InChIKeyIUODKQQITXPBPA-UHFFFAOYSA-N
MW504.48 g/mol
LogP3.58
Rot. Bonds4

About N'-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide

N'-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111153894) has the molecular formula C20H33IN4OS and a molecular weight of 504.48 g/mol. Its IUPAC name is N'-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111153894
Molecular FormulaC20H33IN4OS
Molecular Weight504.48 g/mol
Exact Mass504.14
IUPAC NameN'-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCC(=O)N1CCc2sccc2C1)N1CC(C)CC(C)C1.I
InChIInChI=1S/C20H32N4OS.HI/c1-4-21-20(24-12-15(2)11-16(3)13-24)22-8-5-19(25)23-9-6-18-17(14-23)7-10-26-18;/h7,10,15-16H,4-6,8-9,11-14H2,1-3H3,(H,21,22);1H
InChIKeyIUODKQQITXPBPA-UHFFFAOYSA-N
XLogP3.58
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
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'}

Analyze N'-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butan-2-yl-2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-3-ethylguanidine
CID 110944506
2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190884
N-ethyl-N'-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110946975
N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-ethyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110947309
2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948865
1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-3-ethyl-2-(3-methylbutyl)guanidine;hydroiodide
CID 110978100
2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-1-ethyl-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111909177
2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111237803
2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-1-ethyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111005524
1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-3-ethyl-2-hexylguanidine;hydroiodide
CID 111161430
1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine;hydroiodide
CID 111248766
N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-ethyl-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide;hydroiodide
CID 119145051

Frequently Asked Questions

What is the IUPAC name of N'-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide (CID 111153894) is N'-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCC(=O)N1CCc2sccc2C1)N1CC(C)CC(C)C1.I.
What is the InChIKey of N'-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is IUODKQQITXPBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4OS.HI/c1-4-21-20(24-12-15(2)11-16(3)13-24)22-8-5-19(25)23-9-6-18-17(14-23)7-10-26-18;/h7,10,15-16H,4-6,8-9,11-14H2,1-3H3,(H,21,22);1H.
What are the key properties of N'-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide?
N'-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 504.48 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111153894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).