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

C15H30N2O4S — CID 110617165

IUPACN-(4-methoxybutyl)-5-piperidin-1-ylsulfonylpentanamide
SMILESCOCCCCNC(=O)CCCCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C15H30N2O4S/c1-21-13-7-4-10-16-15(18)9-3-8-14-22(19,20)17-11-5-2-6-12-17/h2-14H2,1H3,(H,16,18)
InChIKeyOWFQCYIYTYDVCU-UHFFFAOYSA-N
MW334.48 g/mol
LogP1.52
Rot. Bonds11

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

N-(4-methoxybutyl)-5-piperidin-1-ylsulfonylpentanamide (PubChem CID 110617165) has the molecular formula C15H30N2O4S and a molecular weight of 334.48 g/mol. Its IUPAC name is N-(4-methoxybutyl)-5-piperidin-1-ylsulfonylpentanamide.

Molecular Properties

Compound NameN-(4-methoxybutyl)-5-piperidin-1-ylsulfonylpentanamide
PubChem CID110617165
Molecular FormulaC15H30N2O4S
Molecular Weight334.48 g/mol
Exact Mass334.19
IUPAC NameN-(4-methoxybutyl)-5-piperidin-1-ylsulfonylpentanamide
SMILESCOCCCCNC(=O)CCCCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C15H30N2O4S/c1-21-13-7-4-10-16-15(18)9-3-8-14-22(19,20)17-11-5-2-6-12-17/h2-14H2,1H3,(H,16,18)
InChIKeyOWFQCYIYTYDVCU-UHFFFAOYSA-N
XLogP1.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 51.52
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

N-[2-[2-(diethylamino)ethoxy]ethyl]-5-piperidin-1-ylsulfonylpentanamide
CID 110618545
methyl 4-(azocan-1-ylsulfonyl)butanoate
CID 54952325
5-(5-methoxypentanoylamino)pentanoic acid
CID 119234359
5-(4-methoxyphenyl)-N-(2-piperidin-1-ylsulfonylethyl)pentanamide
CID 110306644
5-methoxy-N-(2-methoxyethyl)pentanamide
CID 58281484
6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide
CID 170966383
N-(4-methoxyphenyl)-5-piperidin-1-ylsulfonylpentanamide
CID 110299866
N-[2-(azepan-1-ylsulfonyl)ethyl]propanamide
CID 110345992
5-(4-methoxyphenyl)-5-oxo-N-(2-piperidin-1-ylsulfonylethyl)pentanamide
CID 110306650
methyl 5-(4-methoxybutylamino)-5-oxopentanoate
CID 87688310
5-(azepan-1-ylsulfonyl)pentanoyl chloride
CID 28704871
N-[(4-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpentanamide
CID 110299788

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)-5-piperidin-1-ylsulfonylpentanamide?
The IUPAC name of N-(4-methoxybutyl)-5-piperidin-1-ylsulfonylpentanamide (CID 110617165) is N-(4-methoxybutyl)-5-piperidin-1-ylsulfonylpentanamide.
What is the SMILES notation for N-(4-methoxybutyl)-5-piperidin-1-ylsulfonylpentanamide?
The canonical SMILES for N-(4-methoxybutyl)-5-piperidin-1-ylsulfonylpentanamide is COCCCCNC(=O)CCCCS(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-methoxybutyl)-5-piperidin-1-ylsulfonylpentanamide?
The InChIKey is OWFQCYIYTYDVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4S/c1-21-13-7-4-10-16-15(18)9-3-8-14-22(19,20)17-11-5-2-6-12-17/h2-14H2,1H3,(H,16,18).
What are the key properties of N-(4-methoxybutyl)-5-piperidin-1-ylsulfonylpentanamide?
N-(4-methoxybutyl)-5-piperidin-1-ylsulfonylpentanamide has a molecular weight of 334.48 g/mol, XLogP of 1.52, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-5-piperidin-1-ylsulfonylpentanamide is sourced from PubChem (CID 110617165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).