2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide

C18H22N4O2S — CID 135525767

IUPAC2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C18H22N4O2S/c1-13-11-16(23)21-18(19-13)25-12-17(24)20-14-5-7-15(8-6-14)22-9-3-2-4-10-22/h5-8,11H,2-4,9-10,12H2,1H3,(H,20,24)(H,19,21,23)
InChIKeySECKLGOLYVKACP-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.80
Rot. Bonds5

About 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide

2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 135525767) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID135525767
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C18H22N4O2S/c1-13-11-16(23)21-18(19-13)25-12-17(24)20-14-5-7-15(8-6-14)22-9-3-2-4-10-22/h5-8,11H,2-4,9-10,12H2,1H3,(H,20,24)(H,19,21,23)
InChIKeySECKLGOLYVKACP-UHFFFAOYSA-N
XLogP2.80
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide (CID 135525767) is 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide is Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(N3CCCCC3)cc2)n1.
What is the InChIKey of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is SECKLGOLYVKACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-13-11-16(23)21-18(19-13)25-12-17(24)20-14-5-7-15(8-6-14)22-9-3-2-4-10-22/h5-8,11H,2-4,9-10,12H2,1H3,(H,20,24)(H,19,21,23).
What are the key properties of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide?
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 358.47 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 135525767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).