3-hydroxy-5-[(6-methoxy-3-pyridinyl)methylsulfanyl]piperidin-2-one

C12H16N2O3S — CID 121493749

IUPAC3-hydroxy-5-[(6-methoxy-3-pyridinyl)methylsulfanyl]piperidin-2-one
SMILESCOc1ccc(CSC2CNC(=O)C(O)C2)cn1
InChIInChI=1S/C12H16N2O3S/c1-17-11-3-2-8(5-13-11)7-18-9-4-10(15)12(16)14-6-9/h2-3,5,9-10,15H,4,6-7H2,1H3,(H,14,16)
InChIKeyHCJFDPAVBBXLMV-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.57
Rot. Bonds4

About 3-hydroxy-5-[(6-methoxy-3-pyridinyl)methylsulfanyl]piperidin-2-one

3-hydroxy-5-[(6-methoxy-3-pyridinyl)methylsulfanyl]piperidin-2-one (PubChem CID 121493749) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-hydroxy-5-[(6-methoxy-3-pyridinyl)methylsulfanyl]piperidin-2-one.

Molecular Properties

Compound Name3-hydroxy-5-[(6-methoxy-3-pyridinyl)methylsulfanyl]piperidin-2-one
PubChem CID121493749
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name3-hydroxy-5-[(6-methoxy-3-pyridinyl)methylsulfanyl]piperidin-2-one
SMILESCOc1ccc(CSC2CNC(=O)C(O)C2)cn1
InChIInChI=1S/C12H16N2O3S/c1-17-11-3-2-8(5-13-11)7-18-9-4-10(15)12(16)14-6-9/h2-3,5,9-10,15H,4,6-7H2,1H3,(H,14,16)
InChIKeyHCJFDPAVBBXLMV-UHFFFAOYSA-N
XLogP0.57
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-[(6-methoxy-3-pyridinyl)methylsulfanyl]piperidin-2-one?
The IUPAC name of 3-hydroxy-5-[(6-methoxy-3-pyridinyl)methylsulfanyl]piperidin-2-one (CID 121493749) is 3-hydroxy-5-[(6-methoxy-3-pyridinyl)methylsulfanyl]piperidin-2-one.
What is the SMILES notation for 3-hydroxy-5-[(6-methoxy-3-pyridinyl)methylsulfanyl]piperidin-2-one?
The canonical SMILES for 3-hydroxy-5-[(6-methoxy-3-pyridinyl)methylsulfanyl]piperidin-2-one is COc1ccc(CSC2CNC(=O)C(O)C2)cn1.
What is the InChIKey of 3-hydroxy-5-[(6-methoxy-3-pyridinyl)methylsulfanyl]piperidin-2-one?
The InChIKey is HCJFDPAVBBXLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-17-11-3-2-8(5-13-11)7-18-9-4-10(15)12(16)14-6-9/h2-3,5,9-10,15H,4,6-7H2,1H3,(H,14,16).
What are the key properties of 3-hydroxy-5-[(6-methoxy-3-pyridinyl)methylsulfanyl]piperidin-2-one?
3-hydroxy-5-[(6-methoxy-3-pyridinyl)methylsulfanyl]piperidin-2-one has a molecular weight of 268.34 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-[(6-methoxy-3-pyridinyl)methylsulfanyl]piperidin-2-one is sourced from PubChem (CID 121493749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).