N-(4-methoxyphenyl)-5-piperidin-1-ylsulfonylpentanamide

C17H26N2O4S — CID 110299866

IUPACN-(4-methoxyphenyl)-5-piperidin-1-ylsulfonylpentanamide
SMILESCOc1ccc(NC(=O)CCCCS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H26N2O4S/c1-23-16-10-8-15(9-11-16)18-17(20)7-3-6-14-24(21,22)19-12-4-2-5-13-19/h8-11H,2-7,12-14H2,1H3,(H,18,20)
InChIKeyMCEKBPQZINAGQM-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.62
Rot. Bonds8

About N-(4-methoxyphenyl)-5-piperidin-1-ylsulfonylpentanamide

N-(4-methoxyphenyl)-5-piperidin-1-ylsulfonylpentanamide (PubChem CID 110299866) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-piperidin-1-ylsulfonylpentanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-piperidin-1-ylsulfonylpentanamide
PubChem CID110299866
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-(4-methoxyphenyl)-5-piperidin-1-ylsulfonylpentanamide
SMILESCOc1ccc(NC(=O)CCCCS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H26N2O4S/c1-23-16-10-8-15(9-11-16)18-17(20)7-3-6-14-24(21,22)19-12-4-2-5-13-19/h8-11H,2-7,12-14H2,1H3,(H,18,20)
InChIKeyMCEKBPQZINAGQM-UHFFFAOYSA-N
XLogP2.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-piperidin-1-ylsulfonyl-N-(4-propan-2-ylphenyl)pentanamide
CID 110299847
N-[4-(dimethylamino)phenyl]-5-piperidin-1-ylsulfonylpentanamide
CID 110299885
N-(3-methylphenyl)-5-piperidin-1-ylsulfonylpentanamide
CID 110299831
5-(4-methoxyphenyl)-N-(2-piperidin-1-ylsulfonylethyl)pentanamide
CID 110306644
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
4-methoxy-N-[4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butyl]benzamide
CID 55624016
N-(4-methoxyphenyl)-6-propan-2-ylsulfonylhexanamide
CID 58145182
5-(4-methoxyphenyl)-5-oxo-N-(2-piperidin-1-ylsulfonylethyl)pentanamide
CID 110306650
N-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-ylsulfonylpropanamide
CID 110342568
N-(4-methoxyphenyl)-2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetamide
CID 24816757
N-(3-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylpropanamide
CID 110342661
6-(4-methoxyanilino)-6-oxohexanoic acid
CID 19422065

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-piperidin-1-ylsulfonylpentanamide?
The IUPAC name of N-(4-methoxyphenyl)-5-piperidin-1-ylsulfonylpentanamide (CID 110299866) is N-(4-methoxyphenyl)-5-piperidin-1-ylsulfonylpentanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-piperidin-1-ylsulfonylpentanamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-piperidin-1-ylsulfonylpentanamide is COc1ccc(NC(=O)CCCCS(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-piperidin-1-ylsulfonylpentanamide?
The InChIKey is MCEKBPQZINAGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-23-16-10-8-15(9-11-16)18-17(20)7-3-6-14-24(21,22)19-12-4-2-5-13-19/h8-11H,2-7,12-14H2,1H3,(H,18,20).
What are the key properties of N-(4-methoxyphenyl)-5-piperidin-1-ylsulfonylpentanamide?
N-(4-methoxyphenyl)-5-piperidin-1-ylsulfonylpentanamide has a molecular weight of 354.47 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-piperidin-1-ylsulfonylpentanamide is sourced from PubChem (CID 110299866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).