N-(1-butylsulfonylpiperidin-4-yl)-4-oxopentanamide

C14H26N2O4S — CID 108562840

IUPACN-(1-butylsulfonylpiperidin-4-yl)-4-oxopentanamide
SMILESCCCCS(=O)(=O)N1CCC(NC(=O)CCC(C)=O)CC1
InChIInChI=1S/C14H26N2O4S/c1-3-4-11-21(19,20)16-9-7-13(8-10-16)15-14(18)6-5-12(2)17/h13H,3-11H2,1-2H3,(H,15,18)
InChIKeyRIJNBXFLTHUQKE-UHFFFAOYSA-N
MW318.44 g/mol
LogP1.07
Rot. Bonds8

About N-(1-butylsulfonylpiperidin-4-yl)-4-oxopentanamide

N-(1-butylsulfonylpiperidin-4-yl)-4-oxopentanamide (PubChem CID 108562840) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-(1-butylsulfonylpiperidin-4-yl)-4-oxopentanamide.

Molecular Properties

Compound NameN-(1-butylsulfonylpiperidin-4-yl)-4-oxopentanamide
PubChem CID108562840
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC NameN-(1-butylsulfonylpiperidin-4-yl)-4-oxopentanamide
SMILESCCCCS(=O)(=O)N1CCC(NC(=O)CCC(C)=O)CC1
InChIInChI=1S/C14H26N2O4S/c1-3-4-11-21(19,20)16-9-7-13(8-10-16)15-14(18)6-5-12(2)17/h13H,3-11H2,1-2H3,(H,15,18)
InChIKeyRIJNBXFLTHUQKE-UHFFFAOYSA-N
XLogP1.07
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-butylsulfonylpiperidin-4-yl)-4-oxopentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-oxo-4-[(1-propylsulfonylpiperidin-4-yl)amino]butanoic acid
CID 60940483
N-(1-butylsulfonylpiperidin-4-yl)-4-(4-methylphenyl)-4-oxobutanamide
CID 108560437
N-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 108561858
N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide
CID 110823079
5-chloro-N-(1-propylsulfonylpiperidin-4-yl)pentanamide
CID 43696327
N-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
CID 108562226
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 43425928
5-[(1-ethylsulfonylpiperidin-4-yl)amino]-5-oxopentanoic acid
CID 60942022
methyl 4-[4-(propanoylamino)piperidin-1-yl]sulfonylbutanoate
CID 61460432
4-(4-tert-butylphenoxy)-N-(1-butylsulfonylpiperidin-4-yl)butanamide
CID 108561153
N-(1-butylsulfonylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide
CID 108561311
N-(1-ethylsulfonylpiperidin-4-yl)-4-(propan-2-ylamino)butanamide
CID 61275650

Frequently Asked Questions

What is the IUPAC name of N-(1-butylsulfonylpiperidin-4-yl)-4-oxopentanamide?
The IUPAC name of N-(1-butylsulfonylpiperidin-4-yl)-4-oxopentanamide (CID 108562840) is N-(1-butylsulfonylpiperidin-4-yl)-4-oxopentanamide.
What is the SMILES notation for N-(1-butylsulfonylpiperidin-4-yl)-4-oxopentanamide?
The canonical SMILES for N-(1-butylsulfonylpiperidin-4-yl)-4-oxopentanamide is CCCCS(=O)(=O)N1CCC(NC(=O)CCC(C)=O)CC1.
What is the InChIKey of N-(1-butylsulfonylpiperidin-4-yl)-4-oxopentanamide?
The InChIKey is RIJNBXFLTHUQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-3-4-11-21(19,20)16-9-7-13(8-10-16)15-14(18)6-5-12(2)17/h13H,3-11H2,1-2H3,(H,15,18).
What are the key properties of N-(1-butylsulfonylpiperidin-4-yl)-4-oxopentanamide?
N-(1-butylsulfonylpiperidin-4-yl)-4-oxopentanamide has a molecular weight of 318.44 g/mol, XLogP of 1.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylsulfonylpiperidin-4-yl)-4-oxopentanamide is sourced from PubChem (CID 108562840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).