N-(2-methylpiperidin-3-yl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride

C18H29ClN2O4S — CID 120575876

IUPACN-(2-methylpiperidin-3-yl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride
SMILESCC1NCCCC1NC(=O)CCCCOc1ccc(S(C)(=O)=O)cc1.Cl
InChIInChI=1S/C18H28N2O4S.ClH/c1-14-17(6-5-12-19-14)20-18(21)7-3-4-13-24-15-8-10-16(11-9-15)25(2,22)23;/h8-11,14,17,19H,3-7,12-13H2,1-2H3,(H,20,21);1H
InChIKeyOLGNZFQMVAXIJW-UHFFFAOYSA-N
MW404.96 g/mol
LogP2.32
Rot. Bonds8

About N-(2-methylpiperidin-3-yl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride

N-(2-methylpiperidin-3-yl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride (PubChem CID 120575876) has the molecular formula C18H29ClN2O4S and a molecular weight of 404.96 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride
PubChem CID120575876
Molecular FormulaC18H29ClN2O4S
Molecular Weight404.96 g/mol
Exact Mass404.15
IUPAC NameN-(2-methylpiperidin-3-yl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride
SMILESCC1NCCCC1NC(=O)CCCCOc1ccc(S(C)(=O)=O)cc1.Cl
InChIInChI=1S/C18H28N2O4S.ClH/c1-14-17(6-5-12-19-14)20-18(21)7-3-4-13-24-15-8-10-16(11-9-15)25(2,22)23;/h8-11,14,17,19H,3-7,12-13H2,1-2H3,(H,20,21);1H
InChIKeyOLGNZFQMVAXIJW-UHFFFAOYSA-N
XLogP2.32
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.96
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119451061
N-(2-methylpiperidin-3-yl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 120576470
5-methoxy-N-(2-methylpiperidin-3-yl)pentanamide;hydrochloride
CID 120575880
4-(4-methylsulfonylphenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119514677
N-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride
CID 119475958
N-(3-methylpiperidin-4-yl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride
CID 120556092
4-(3-acetylphenoxy)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
CID 120575882
5-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)pentanamide
CID 119461425
N-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide
CID 119475959
4-(3-methoxypropoxy)-N-(2-methylpiperidin-3-yl)benzamide
CID 120575755
4-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylbutanamide
CID 119454241
2-(4-ethoxyphenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120573758

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-3-yl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride (CID 120575876) is N-(2-methylpiperidin-3-yl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride is CC1NCCCC1NC(=O)CCCCOc1ccc(S(C)(=O)=O)cc1.Cl.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride?
The InChIKey is OLGNZFQMVAXIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S.ClH/c1-14-17(6-5-12-19-14)20-18(21)7-3-4-13-24-15-8-10-16(11-9-15)25(2,22)23;/h8-11,14,17,19H,3-7,12-13H2,1-2H3,(H,20,21);1H.
What are the key properties of N-(2-methylpiperidin-3-yl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride?
N-(2-methylpiperidin-3-yl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride has a molecular weight of 404.96 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride is sourced from PubChem (CID 120575876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).