1-acetyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)piperidine-3-carboxamide

C13H24N2O3S — CID 103801448

IUPAC1-acetyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)piperidine-3-carboxamide
SMILESCSC(CO)C(C)NC(=O)C1CCCN(C(C)=O)C1
InChIInChI=1S/C13H24N2O3S/c1-9(12(8-16)19-3)14-13(18)11-5-4-6-15(7-11)10(2)17/h9,11-12,16H,4-8H2,1-3H3,(H,14,18)
InChIKeyJUZLLUAXLOKEKE-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.47
Rot. Bonds5

About 1-acetyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)piperidine-3-carboxamide

1-acetyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)piperidine-3-carboxamide (PubChem CID 103801448) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 1-acetyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)piperidine-3-carboxamide
PubChem CID103801448
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name1-acetyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)piperidine-3-carboxamide
SMILESCSC(CO)C(C)NC(=O)C1CCCN(C(C)=O)C1
InChIInChI=1S/C13H24N2O3S/c1-9(12(8-16)19-3)14-13(18)11-5-4-6-15(7-11)10(2)17/h9,11-12,16H,4-8H2,1-3H3,(H,14,18)
InChIKeyJUZLLUAXLOKEKE-UHFFFAOYSA-N
XLogP0.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-N-[3-(methylthio)propyl]-6-oxo-3-piperidinecarboxamide
CID 45194130
N-(4-hydroxy-1-methylsulfanylbutan-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 109889115
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 112349614
(3R)-1-cyclopentyl-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide
CID 25369492
(3S)-1-cyclopentyl-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide
CID 25369499
1-[2-(2-Hydroxyethylsulfanyl)acetyl]piperidine-3-carboxamide
CID 43394633
1-(2-methylsulfanylacetyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 49405638
1-(3-hydroxypropyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 49444114
N-(3-hydroxypropyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 61039204
(2S)-2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-4-methylsulfanylbutan-1-one
CID 61155098
1-[(2S)-2-amino-4-methylsulfanylbutanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 61164589
1-[2-(4-Hydroxybutan-2-ylsulfanyl)acetyl]piperidine-3-carboxamide
CID 65416202

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)piperidine-3-carboxamide (CID 103801448) is 1-acetyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)piperidine-3-carboxamide is CSC(CO)C(C)NC(=O)C1CCCN(C(C)=O)C1.
What is the InChIKey of 1-acetyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)piperidine-3-carboxamide?
The InChIKey is JUZLLUAXLOKEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-9(12(8-16)19-3)14-13(18)11-5-4-6-15(7-11)10(2)17/h9,11-12,16H,4-8H2,1-3H3,(H,14,18).
What are the key properties of 1-acetyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)piperidine-3-carboxamide?
1-acetyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)piperidine-3-carboxamide has a molecular weight of 288.41 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 103801448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).