2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-piperidin-4-ylacetamide

C18H26N2O2S2 — CID 119441718

IUPAC2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-piperidin-4-ylacetamide
SMILESCN(C(=O)COc1ccc(C2SCCCS2)cc1)C1CCNCC1
InChIInChI=1S/C18H26N2O2S2/c1-20(15-7-9-19-10-8-15)17(21)13-22-16-5-3-14(4-6-16)18-23-11-2-12-24-18/h3-6,15,18-19H,2,7-13H2,1H3
InChIKeyPTUXZBOXLPETEH-UHFFFAOYSA-N
MW366.55 g/mol
LogP3.14
Rot. Bonds5

About 2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-piperidin-4-ylacetamide

2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-piperidin-4-ylacetamide (PubChem CID 119441718) has the molecular formula C18H26N2O2S2 and a molecular weight of 366.55 g/mol. Its IUPAC name is 2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-piperidin-4-ylacetamide.

Molecular Properties

Compound Name2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-piperidin-4-ylacetamide
PubChem CID119441718
Molecular FormulaC18H26N2O2S2
Molecular Weight366.55 g/mol
Exact Mass366.14
IUPAC Name2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-piperidin-4-ylacetamide
SMILESCN(C(=O)COc1ccc(C2SCCCS2)cc1)C1CCNCC1
InChIInChI=1S/C18H26N2O2S2/c1-20(15-7-9-19-10-8-15)17(21)13-22-16-5-3-14(4-6-16)18-23-11-2-12-24-18/h3-6,15,18-19H,2,7-13H2,1H3
InChIKeyPTUXZBOXLPETEH-UHFFFAOYSA-N
XLogP3.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-piperidin-4-ylacetamide 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

2-(4-ethylphenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441584
2-(4-iodophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119443551
2-[cyclopropyl-[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]propanoic acid
CID 119202241
2-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]-(2-methylpropyl)amino]acetic acid
CID 119192634
2-(4-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119550503
4-(1,3-dithiolan-2-yl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442633
2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 55383165
N-cyclooctyl-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 55382021
N-cyclopropyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide
CID 61488440
2-(3-methoxyphenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441734
2-(2-ethylphenoxy)-N-methyl-N-piperidin-4-ylacetamide
CID 119441590
2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide
CID 43243621

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-piperidin-4-ylacetamide?
The IUPAC name of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-piperidin-4-ylacetamide (CID 119441718) is 2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-piperidin-4-ylacetamide.
What is the SMILES notation for 2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-piperidin-4-ylacetamide?
The canonical SMILES for 2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-piperidin-4-ylacetamide is CN(C(=O)COc1ccc(C2SCCCS2)cc1)C1CCNCC1.
What is the InChIKey of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-piperidin-4-ylacetamide?
The InChIKey is PTUXZBOXLPETEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S2/c1-20(15-7-9-19-10-8-15)17(21)13-22-16-5-3-14(4-6-16)18-23-11-2-12-24-18/h3-6,15,18-19H,2,7-13H2,1H3.
What are the key properties of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-piperidin-4-ylacetamide?
2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-piperidin-4-ylacetamide has a molecular weight of 366.55 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-piperidin-4-ylacetamide is sourced from PubChem (CID 119441718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).