3-(4-methylsulfonylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride

C17H27ClN2O4S — CID 119558807

IUPAC3-(4-methylsulfonylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
SMILESCS(=O)(=O)c1ccc(OCCC(=O)NCCC2CCCNC2)cc1.Cl
InChIInChI=1S/C17H26N2O4S.ClH/c1-24(21,22)16-6-4-15(5-7-16)23-12-9-17(20)19-11-8-14-3-2-10-18-13-14;/h4-7,14,18H,2-3,8-13H2,1H3,(H,19,20);1H
InChIKeyWQZFHASNSVEDOR-UHFFFAOYSA-N
MW390.93 g/mol
LogP1.79
Rot. Bonds8

About 3-(4-methylsulfonylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride

3-(4-methylsulfonylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride (PubChem CID 119558807) has the molecular formula C17H27ClN2O4S and a molecular weight of 390.93 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(4-methylsulfonylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
PubChem CID119558807
Molecular FormulaC17H27ClN2O4S
Molecular Weight390.93 g/mol
Exact Mass390.14
IUPAC Name3-(4-methylsulfonylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
SMILESCS(=O)(=O)c1ccc(OCCC(=O)NCCC2CCCNC2)cc1.Cl
InChIInChI=1S/C17H26N2O4S.ClH/c1-24(21,22)16-6-4-15(5-7-16)23-12-9-17(20)19-11-8-14-3-2-10-18-13-14;/h4-7,14,18H,2-3,8-13H2,1H3,(H,19,20);1H
InChIKeyWQZFHASNSVEDOR-UHFFFAOYSA-N
XLogP1.79
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.93
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(4-methylsulfonylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride 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

3-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)propanamide
CID 119463901
5-(4-methylsulfonylphenoxy)-N-(2-pyrrolidin-3-ylethyl)pentanamide;hydrochloride
CID 119534985
3-(4-methoxyphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555554
3-(4-chlorophenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555737
5-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)pentanamide
CID 119461425
N-(2-piperidin-3-ylethyl)-2-(4-propoxyphenoxy)acetamide;hydrochloride
CID 119555166
3-methoxy-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555798
N-[2-(4-methylsulfonylphenoxy)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119777473
N-(2-piperidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide;hydrochloride
CID 119555968
4-(4-ethoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119534000
3-[2-(4-methylsulfonylphenoxy)ethyl]pyrrolidine
CID 114796528
N-(3-methylpiperidin-4-yl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride
CID 120556092

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride?
The IUPAC name of 3-(4-methylsulfonylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride (CID 119558807) is 3-(4-methylsulfonylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(4-methylsulfonylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride?
The canonical SMILES for 3-(4-methylsulfonylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride is CS(=O)(=O)c1ccc(OCCC(=O)NCCC2CCCNC2)cc1.Cl.
What is the InChIKey of 3-(4-methylsulfonylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride?
The InChIKey is WQZFHASNSVEDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S.ClH/c1-24(21,22)16-6-4-15(5-7-16)23-12-9-17(20)19-11-8-14-3-2-10-18-13-14;/h4-7,14,18H,2-3,8-13H2,1H3,(H,19,20);1H.
What are the key properties of 3-(4-methylsulfonylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride?
3-(4-methylsulfonylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride has a molecular weight of 390.93 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride is sourced from PubChem (CID 119558807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).