N-(3-methylpiperidin-4-yl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride

C16H25ClN2O4S — CID 120556092

IUPACN-(3-methylpiperidin-4-yl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride
SMILESCC1CNCCC1NC(=O)CCOc1ccc(S(C)(=O)=O)cc1.Cl
InChIInChI=1S/C16H24N2O4S.ClH/c1-12-11-17-9-7-15(12)18-16(19)8-10-22-13-3-5-14(6-4-13)23(2,20)21;/h3-6,12,15,17H,7-11H2,1-2H3,(H,18,19);1H
InChIKeyMZRWHKBVECODPA-UHFFFAOYSA-N
MW376.91 g/mol
LogP1.39
Rot. Bonds6

About N-(3-methylpiperidin-4-yl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride

N-(3-methylpiperidin-4-yl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride (PubChem CID 120556092) has the molecular formula C16H25ClN2O4S and a molecular weight of 376.91 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride
PubChem CID120556092
Molecular FormulaC16H25ClN2O4S
Molecular Weight376.91 g/mol
Exact Mass376.12
IUPAC NameN-(3-methylpiperidin-4-yl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride
SMILESCC1CNCCC1NC(=O)CCOc1ccc(S(C)(=O)=O)cc1.Cl
InChIInChI=1S/C16H24N2O4S.ClH/c1-12-11-17-9-7-15(12)18-16(19)8-10-22-13-3-5-14(6-4-13)23(2,20)21;/h3-6,12,15,17H,7-11H2,1-2H3,(H,18,19);1H
InChIKeyMZRWHKBVECODPA-UHFFFAOYSA-N
XLogP1.39
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120554554
N-(3-methylpiperidin-4-yl)-3-phenoxypropanamide
CID 79886279
5-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119451061
4-(4-methoxyphenoxy)-N-(3-methylpiperidin-4-yl)butanamide
CID 120555351
4-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylbutanamide
CID 119454241
3-(3,5-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553278
3-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120557730
N-(3-methylpiperidin-4-yl)-2-(4-propoxyphenoxy)acetamide
CID 120555604
3-[3-[(3-methylpiperidin-4-yl)amino]-3-oxopropoxy]benzamide;hydrochloride
CID 120557025
3-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)propanamide
CID 119463901
N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 120553976
N-(2-methylpiperidin-3-yl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride
CID 120575876

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride?
The IUPAC name of N-(3-methylpiperidin-4-yl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride (CID 120556092) is N-(3-methylpiperidin-4-yl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride is CC1CNCCC1NC(=O)CCOc1ccc(S(C)(=O)=O)cc1.Cl.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride?
The InChIKey is MZRWHKBVECODPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S.ClH/c1-12-11-17-9-7-15(12)18-16(19)8-10-22-13-3-5-14(6-4-13)23(2,20)21;/h3-6,12,15,17H,7-11H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(3-methylpiperidin-4-yl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride?
N-(3-methylpiperidin-4-yl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride has a molecular weight of 376.91 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride is sourced from PubChem (CID 120556092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).