2-(3-oxo-3-piperidin-1-ylpropyl)sulfanyl-N-phenylacetamide

C16H22N2O2S — CID 3495529

IUPAC2-(3-oxo-3-piperidin-1-ylpropyl)sulfanyl-N-phenylacetamide
SMILESO=C(CSCCC(=O)N1CCCCC1)Nc1ccccc1
InChIInChI=1S/C16H22N2O2S/c19-15(17-14-7-3-1-4-8-14)13-21-12-9-16(20)18-10-5-2-6-11-18/h1,3-4,7-8H,2,5-6,9-13H2,(H,17,19)
InChIKeyYNTRPMVOMZEFNF-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.76
Rot. Bonds6

About 2-(3-oxo-3-piperidin-1-ylpropyl)sulfanyl-N-phenylacetamide

2-(3-oxo-3-piperidin-1-ylpropyl)sulfanyl-N-phenylacetamide (PubChem CID 3495529) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-(3-oxo-3-piperidin-1-ylpropyl)sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(3-oxo-3-piperidin-1-ylpropyl)sulfanyl-N-phenylacetamide
PubChem CID3495529
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name2-(3-oxo-3-piperidin-1-ylpropyl)sulfanyl-N-phenylacetamide
SMILESO=C(CSCCC(=O)N1CCCCC1)Nc1ccccc1
InChIInChI=1S/C16H22N2O2S/c19-15(17-14-7-3-1-4-8-14)13-21-12-9-16(20)18-10-5-2-6-11-18/h1,3-4,7-8H,2,5-6,9-13H2,(H,17,19)
InChIKeyYNTRPMVOMZEFNF-UHFFFAOYSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-oxo-N-phenyl-6-piperidin-1-ylhexanamide
CID 10850910
2-[2-(azepan-1-yl)ethylsulfanyl]-N-phenylacetamide
CID 134064612
1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylurea
CID 24583495
2-anilinosulfanyl-1-piperidin-1-ylethanone
CID 172705672
4-morpholin-4-yl-4-oxo-N-phenylbutanamide
CID 9341047
2-[6-[2-(4-anilinoanilino)-2-oxoethyl]sulfanylhexylsulfanyl]-N-(4-anilinophenyl)acetamide
CID 126713457
5-[4-(azepan-1-yl)-4-oxobutyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46320288
2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-N-phenylacetamide
CID 39075960
2-(3-oxo-3-pyrrolidin-1-ylpropyl)sulfanylacetamide
CID 60734306
N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 51362513
2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanyl-N-phenylacetamide
CID 6624315
2-[4-[3-(4-methylphenyl)sulfanylpropanoyl]piperazin-1-yl]-N-phenylacetamide
CID 31348719

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-3-piperidin-1-ylpropyl)sulfanyl-N-phenylacetamide?
The IUPAC name of 2-(3-oxo-3-piperidin-1-ylpropyl)sulfanyl-N-phenylacetamide (CID 3495529) is 2-(3-oxo-3-piperidin-1-ylpropyl)sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-(3-oxo-3-piperidin-1-ylpropyl)sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-(3-oxo-3-piperidin-1-ylpropyl)sulfanyl-N-phenylacetamide is O=C(CSCCC(=O)N1CCCCC1)Nc1ccccc1.
What is the InChIKey of 2-(3-oxo-3-piperidin-1-ylpropyl)sulfanyl-N-phenylacetamide?
The InChIKey is YNTRPMVOMZEFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c19-15(17-14-7-3-1-4-8-14)13-21-12-9-16(20)18-10-5-2-6-11-18/h1,3-4,7-8H,2,5-6,9-13H2,(H,17,19).
What are the key properties of 2-(3-oxo-3-piperidin-1-ylpropyl)sulfanyl-N-phenylacetamide?
2-(3-oxo-3-piperidin-1-ylpropyl)sulfanyl-N-phenylacetamide has a molecular weight of 306.43 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-3-piperidin-1-ylpropyl)sulfanyl-N-phenylacetamide is sourced from PubChem (CID 3495529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).