methyl 4-[4-(propanoylamino)piperidin-1-yl]sulfonylbutanoate

C13H24N2O5S — CID 61460432

IUPACmethyl 4-[4-(propanoylamino)piperidin-1-yl]sulfonylbutanoate
SMILESCCC(=O)NC1CCN(S(=O)(=O)CCCC(=O)OC)CC1
InChIInChI=1S/C13H24N2O5S/c1-3-12(16)14-11-6-8-15(9-7-11)21(18,19)10-4-5-13(17)20-2/h11H,3-10H2,1-2H3,(H,14,16)
InChIKeyOZLSMKZEWBHMTR-UHFFFAOYSA-N
MW320.41 g/mol
LogP0.26
Rot. Bonds7

About methyl 4-[4-(propanoylamino)piperidin-1-yl]sulfonylbutanoate

methyl 4-[4-(propanoylamino)piperidin-1-yl]sulfonylbutanoate (PubChem CID 61460432) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is methyl 4-[4-(propanoylamino)piperidin-1-yl]sulfonylbutanoate.

Molecular Properties

Compound Namemethyl 4-[4-(propanoylamino)piperidin-1-yl]sulfonylbutanoate
PubChem CID61460432
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Namemethyl 4-[4-(propanoylamino)piperidin-1-yl]sulfonylbutanoate
SMILESCCC(=O)NC1CCN(S(=O)(=O)CCCC(=O)OC)CC1
InChIInChI=1S/C13H24N2O5S/c1-3-12(16)14-11-6-8-15(9-7-11)21(18,19)10-4-5-13(17)20-2/h11H,3-10H2,1-2H3,(H,14,16)
InChIKeyOZLSMKZEWBHMTR-UHFFFAOYSA-N
XLogP0.26
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(4-acetamidopiperidin-1-yl)sulfonylbutanoate
CID 115634589
methyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylbutanoate
CID 115307199
methyl 4-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbutanoate
CID 80552640
methyl 4-(4-ethoxypiperidin-1-yl)sulfonylbutanoate
CID 61460355
methyl 4-(azocan-1-ylsulfonyl)butanoate
CID 54952325
methyl 4-(3-methylpyrrolidin-1-yl)sulfonylbutanoate
CID 61460356
N-(1-butylsulfonylpiperidin-4-yl)-4-oxopentanamide
CID 108562840
methyl 4-(4-sulfamoylpiperazin-1-yl)sulfonylbutanoate
CID 61457490
N-[1-(3-chloropropylsulfonyl)piperidin-4-yl]-2-methoxyacetamide
CID 54877232
methyl 4-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbutanoate
CID 62371167
methyl 4-(3-methylpiperidin-1-yl)sulfonylbutanoate
CID 54952481
N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide
CID 110823079

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(propanoylamino)piperidin-1-yl]sulfonylbutanoate?
The IUPAC name of methyl 4-[4-(propanoylamino)piperidin-1-yl]sulfonylbutanoate (CID 61460432) is methyl 4-[4-(propanoylamino)piperidin-1-yl]sulfonylbutanoate.
What is the SMILES notation for methyl 4-[4-(propanoylamino)piperidin-1-yl]sulfonylbutanoate?
The canonical SMILES for methyl 4-[4-(propanoylamino)piperidin-1-yl]sulfonylbutanoate is CCC(=O)NC1CCN(S(=O)(=O)CCCC(=O)OC)CC1.
What is the InChIKey of methyl 4-[4-(propanoylamino)piperidin-1-yl]sulfonylbutanoate?
The InChIKey is OZLSMKZEWBHMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5S/c1-3-12(16)14-11-6-8-15(9-7-11)21(18,19)10-4-5-13(17)20-2/h11H,3-10H2,1-2H3,(H,14,16).
What are the key properties of methyl 4-[4-(propanoylamino)piperidin-1-yl]sulfonylbutanoate?
methyl 4-[4-(propanoylamino)piperidin-1-yl]sulfonylbutanoate has a molecular weight of 320.41 g/mol, XLogP of 0.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(propanoylamino)piperidin-1-yl]sulfonylbutanoate is sourced from PubChem (CID 61460432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).