N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-(4-sulfanylphenyl)acetamide

C16H22N2O2S — CID 107034590

IUPACN-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-(4-sulfanylphenyl)acetamide
SMILESCC(NC(=O)Cc1ccc(S)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C16H22N2O2S/c1-12(16(20)18-9-3-2-4-10-18)17-15(19)11-13-5-7-14(21)8-6-13/h5-8,12,21H,2-4,9-11H2,1H3,(H,17,19)
InChIKeyOGYXKCKGUJXQGM-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.04
Rot. Bonds4

About N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-(4-sulfanylphenyl)acetamide

N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-(4-sulfanylphenyl)acetamide (PubChem CID 107034590) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-(4-sulfanylphenyl)acetamide
PubChem CID107034590
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-(4-sulfanylphenyl)acetamide
SMILESCC(NC(=O)Cc1ccc(S)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C16H22N2O2S/c1-12(16(20)18-9-3-2-4-10-18)17-15(19)11-13-5-7-14(21)8-6-13/h5-8,12,21H,2-4,9-11H2,1H3,(H,17,19)
InChIKeyOGYXKCKGUJXQGM-UHFFFAOYSA-N
XLogP2.04
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 94667978
2-(methylamino)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 60945403
2-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 93360859
N-[(2S)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 9036546
1-pyrrolidin-1-yl-2-(4-sulfanylphenyl)ethanone
CID 107019336
2-amino-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide;ethane;2-phenylacetamide
CID 143447744
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-phenoxyacetamide
CID 47101035
2-(4-fluorophenyl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]acetamide
CID 110351359
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenylacetamide
CID 110351358
2-(2-amino-1,3-thiazol-4-yl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 62798011
2-(4-fluorophenyl)-N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]acetamide
CID 110347997
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-(propylamino)acetamide
CID 113408453

Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-(4-sulfanylphenyl)acetamide (CID 107034590) is N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-(4-sulfanylphenyl)acetamide is CC(NC(=O)Cc1ccc(S)cc1)C(=O)N1CCCCC1.
What is the InChIKey of N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-(4-sulfanylphenyl)acetamide?
The InChIKey is OGYXKCKGUJXQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-12(16(20)18-9-3-2-4-10-18)17-15(19)11-13-5-7-14(21)8-6-13/h5-8,12,21H,2-4,9-11H2,1H3,(H,17,19).
What are the key properties of N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-(4-sulfanylphenyl)acetamide?
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-(4-sulfanylphenyl)acetamide has a molecular weight of 306.43 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107034590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).