N-(1-butylsulfonylpiperidin-4-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide

C20H27N3O5S — CID 108560252

IUPACN-(1-butylsulfonylpiperidin-4-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCCCCS(=O)(=O)N1CCC(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C20H27N3O5S/c1-3-4-13-29(27,28)22-11-9-15(10-12-22)21-18(24)14(2)23-19(25)16-7-5-6-8-17(16)20(23)26/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,21,24)
InChIKeyUDXFGHRARUOMGR-UHFFFAOYSA-N
MW421.52 g/mol
LogP1.38
Rot. Bonds7

About N-(1-butylsulfonylpiperidin-4-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide

N-(1-butylsulfonylpiperidin-4-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 108560252) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-(1-butylsulfonylpiperidin-4-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-butylsulfonylpiperidin-4-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID108560252
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC NameN-(1-butylsulfonylpiperidin-4-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCCCCS(=O)(=O)N1CCC(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C20H27N3O5S/c1-3-4-13-29(27,28)22-11-9-15(10-12-22)21-18(24)14(2)23-19(25)16-7-5-6-8-17(16)20(23)26/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,21,24)
InChIKeyUDXFGHRARUOMGR-UHFFFAOYSA-N
XLogP1.38
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-[1-(4-oxopentanoyl)piperidin-4-yl]propanamide
CID 108551680
N-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 108561858
N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 108551631
N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide
CID 110823079
N-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
CID 108562226
N-(1-butylsulfonylpiperidin-4-yl)-4-(4-methylphenyl)-4-oxobutanamide
CID 108560437
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)propanamide
CID 43696323
(2S)-N-(1-acetylpiperidin-4-yl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 39966068
N-(1-butylsulfonylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 108563028
2-(1,3-dioxoisoindol-2-yl)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]propanamide
CID 108551682
N-(1-butylsulfonylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide
CID 108561311
N-(1-butylsulfonylpiperidin-4-yl)-4-oxopentanamide
CID 108562840

Frequently Asked Questions

What is the IUPAC name of N-(1-butylsulfonylpiperidin-4-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(1-butylsulfonylpiperidin-4-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide (CID 108560252) is N-(1-butylsulfonylpiperidin-4-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(1-butylsulfonylpiperidin-4-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(1-butylsulfonylpiperidin-4-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide is CCCCS(=O)(=O)N1CCC(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of N-(1-butylsulfonylpiperidin-4-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is UDXFGHRARUOMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5S/c1-3-4-13-29(27,28)22-11-9-15(10-12-22)21-18(24)14(2)23-19(25)16-7-5-6-8-17(16)20(23)26/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,21,24).
What are the key properties of N-(1-butylsulfonylpiperidin-4-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
N-(1-butylsulfonylpiperidin-4-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 421.52 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylsulfonylpiperidin-4-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 108560252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).