2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide

C16H30N4O2S — CID 119394423

IUPAC2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
SMILESO=C(CSCC(=O)N1CCCCC1)NCCCN1CCNCC1
InChIInChI=1S/C16H30N4O2S/c21-15(18-5-4-8-19-11-6-17-7-12-19)13-23-14-16(22)20-9-2-1-3-10-20/h17H,1-14H2,(H,18,21)
InChIKeyMBPATSCCSSBVDO-UHFFFAOYSA-N
MW342.51 g/mol
LogP0.14
Rot. Bonds8

About 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide

2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide (PubChem CID 119394423) has the molecular formula C16H30N4O2S and a molecular weight of 342.51 g/mol. Its IUPAC name is 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
PubChem CID119394423
Molecular FormulaC16H30N4O2S
Molecular Weight342.51 g/mol
Exact Mass342.21
IUPAC Name2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
SMILESO=C(CSCC(=O)N1CCCCC1)NCCCN1CCNCC1
InChIInChI=1S/C16H30N4O2S/c21-15(18-5-4-8-19-11-6-17-7-12-19)13-23-14-16(22)20-9-2-1-3-10-20/h17H,1-14H2,(H,18,21)
InChIKeyMBPATSCCSSBVDO-UHFFFAOYSA-N
XLogP0.14
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-piperazin-1-ylpropyl)-2-propylsulfanylacetamide
CID 119392220
2-(3-methylbutylsulfanyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393490
2-cycloheptyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393131
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-piperidin-1-ylethanone
CID 14367450
1-piperazin-1-yl-4-piperidin-1-ylbutan-1-one
CID 39255742
5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide
CID 119394555
N-(2-piperazin-1-ylethyl)-2-propylsulfanylacetamide
CID 119446583
3,3-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119391133
2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392699
2-(2-oxopiperidin-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119393442
2-[(3-chlorophenyl)methylsulfanyl]-N-(3-piperazin-1-ylpropyl)acetamide
CID 119391216
N-(3-piperazin-1-ylpropyl)pent-4-enamide
CID 62679296

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide?
The IUPAC name of 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide (CID 119394423) is 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide is O=C(CSCC(=O)N1CCCCC1)NCCCN1CCNCC1.
What is the InChIKey of 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide?
The InChIKey is MBPATSCCSSBVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2S/c21-15(18-5-4-8-19-11-6-17-7-12-19)13-23-14-16(22)20-9-2-1-3-10-20/h17H,1-14H2,(H,18,21).
What are the key properties of 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide?
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide has a molecular weight of 342.51 g/mol, XLogP of 0.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide is sourced from PubChem (CID 119394423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).