3-(4-ethoxypiperidin-1-yl)-3-oxopropanethioamide

C10H18N2O2S — CID 61215632

IUPAC3-(4-ethoxypiperidin-1-yl)-3-oxopropanethioamide
SMILESCCOC1CCN(C(=O)CC(N)=S)CC1
InChIInChI=1S/C10H18N2O2S/c1-2-14-8-3-5-12(6-4-8)10(13)7-9(11)15/h8H,2-7H2,1H3,(H2,11,15)
InChIKeyFWXJLOLTUDTWIL-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.69
Rot. Bonds4

About 3-(4-ethoxypiperidin-1-yl)-3-oxopropanethioamide

3-(4-ethoxypiperidin-1-yl)-3-oxopropanethioamide (PubChem CID 61215632) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 3-(4-ethoxypiperidin-1-yl)-3-oxopropanethioamide.

Molecular Properties

Compound Name3-(4-ethoxypiperidin-1-yl)-3-oxopropanethioamide
PubChem CID61215632
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name3-(4-ethoxypiperidin-1-yl)-3-oxopropanethioamide
SMILESCCOC1CCN(C(=O)CC(N)=S)CC1
InChIInChI=1S/C10H18N2O2S/c1-2-14-8-3-5-12(6-4-8)10(13)7-9(11)15/h8H,2-7H2,1H3,(H2,11,15)
InChIKeyFWXJLOLTUDTWIL-UHFFFAOYSA-N
XLogP0.69
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-(4-ethoxypiperidin-1-yl)-3-oxopropanethioamide 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-(4-ethoxypiperidin-1-yl)propan-1-one
CID 53016317
ethyl 4-(4-ethoxypiperidin-1-yl)-4-oxobutanoate
CID 61150674
2-(cyclopropylmethylamino)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 61217045
2-(butan-2-ylamino)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 61216682
2-(4-aminocyclohexyl)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 55117063
2-(1-aminocyclopentyl)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 64679819
1-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one
CID 62847650
3-oxo-3-pyrrolidin-1-ylpropanethioamide
CID 2771373
1-[(3R)-3-ethoxypyrrolidin-1-yl]ethanone
CID 57091302
1-(4-ethoxypiperidin-1-yl)-2-(2-methoxyethoxy)ethanone
CID 113226406
5-amino-1-(4-ethoxypiperidin-1-yl)-4-methylpentan-1-one
CID 82010948
4-ethoxy-N'-hydroxypiperidine-1-carboximidamide
CID 62481285

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxypiperidin-1-yl)-3-oxopropanethioamide?
The IUPAC name of 3-(4-ethoxypiperidin-1-yl)-3-oxopropanethioamide (CID 61215632) is 3-(4-ethoxypiperidin-1-yl)-3-oxopropanethioamide.
What is the SMILES notation for 3-(4-ethoxypiperidin-1-yl)-3-oxopropanethioamide?
The canonical SMILES for 3-(4-ethoxypiperidin-1-yl)-3-oxopropanethioamide is CCOC1CCN(C(=O)CC(N)=S)CC1.
What is the InChIKey of 3-(4-ethoxypiperidin-1-yl)-3-oxopropanethioamide?
The InChIKey is FWXJLOLTUDTWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-2-14-8-3-5-12(6-4-8)10(13)7-9(11)15/h8H,2-7H2,1H3,(H2,11,15).
What are the key properties of 3-(4-ethoxypiperidin-1-yl)-3-oxopropanethioamide?
3-(4-ethoxypiperidin-1-yl)-3-oxopropanethioamide has a molecular weight of 230.33 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxypiperidin-1-yl)-3-oxopropanethioamide is sourced from PubChem (CID 61215632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).