5-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)pentanamide

C18H28N2O4S — CID 119461425

IUPAC5-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)pentanamide
SMILESCS(=O)(=O)c1ccc(OCCCCC(=O)NCC2CCCNC2)cc1
InChIInChI=1S/C18H28N2O4S/c1-25(22,23)17-9-7-16(8-10-17)24-12-3-2-6-18(21)20-14-15-5-4-11-19-13-15/h7-10,15,19H,2-6,11-14H2,1H3,(H,20,21)
InChIKeyOGGITNMFBAMEHB-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.75
Rot. Bonds9

About 5-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)pentanamide

5-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)pentanamide (PubChem CID 119461425) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 5-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)pentanamide.

Molecular Properties

Compound Name5-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)pentanamide
PubChem CID119461425
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name5-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)pentanamide
SMILESCS(=O)(=O)c1ccc(OCCCCC(=O)NCC2CCCNC2)cc1
InChIInChI=1S/C18H28N2O4S/c1-25(22,23)17-9-7-16(8-10-17)24-12-3-2-6-18(21)20-14-15-5-4-11-19-13-15/h7-10,15,19H,2-6,11-14H2,1H3,(H,20,21)
InChIKeyOGGITNMFBAMEHB-UHFFFAOYSA-N
XLogP1.75
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.75
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

3-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)propanamide
CID 119463901
3-(4-methylsulfonylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119558807
5-(4-methylsulfonylphenoxy)-N-(2-pyrrolidin-3-ylethyl)pentanamide;hydrochloride
CID 119534985
4-(4-methylsulfonylphenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119514677
5-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119451061
4-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylbutanamide
CID 119454241
4-(3-methylphenoxy)-N-(piperidin-3-ylmethyl)butanamide
CID 119461960
4-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide;hydrochloride
CID 119461600
4-pentoxy-N-(piperidin-3-ylmethyl)benzamide
CID 119463502
N-(2-methylpiperidin-3-yl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride
CID 120575876
4-(2-methoxyethoxy)-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968401
2-(4-ethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119460422

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)pentanamide?
The IUPAC name of 5-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)pentanamide (CID 119461425) is 5-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)pentanamide.
What is the SMILES notation for 5-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)pentanamide?
The canonical SMILES for 5-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)pentanamide is CS(=O)(=O)c1ccc(OCCCCC(=O)NCC2CCCNC2)cc1.
What is the InChIKey of 5-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)pentanamide?
The InChIKey is OGGITNMFBAMEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-25(22,23)17-9-7-16(8-10-17)24-12-3-2-6-18(21)20-14-15-5-4-11-19-13-15/h7-10,15,19H,2-6,11-14H2,1H3,(H,20,21).
What are the key properties of 5-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)pentanamide?
5-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)pentanamide has a molecular weight of 368.50 g/mol, XLogP of 1.75, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)pentanamide is sourced from PubChem (CID 119461425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).