N-(1-ethyl-6-oxo-3-pyridinyl)-2-piperidin-4-ylsulfanylacetamide

C14H21N3O2S — CID 114626884

IUPACN-(1-ethyl-6-oxo-3-pyridinyl)-2-piperidin-4-ylsulfanylacetamide
SMILESCCn1cc(NC(=O)CSC2CCNCC2)ccc1=O
InChIInChI=1S/C14H21N3O2S/c1-2-17-9-11(3-4-14(17)19)16-13(18)10-20-12-5-7-15-8-6-12/h3-4,9,12,15H,2,5-8,10H2,1H3,(H,16,18)
InChIKeyXTAIURPTFHSZON-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.29
Rot. Bonds5

About N-(1-ethyl-6-oxo-3-pyridinyl)-2-piperidin-4-ylsulfanylacetamide

N-(1-ethyl-6-oxo-3-pyridinyl)-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114626884) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-(1-ethyl-6-oxo-3-pyridinyl)-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(1-ethyl-6-oxo-3-pyridinyl)-2-piperidin-4-ylsulfanylacetamide
PubChem CID114626884
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-(1-ethyl-6-oxo-3-pyridinyl)-2-piperidin-4-ylsulfanylacetamide
SMILESCCn1cc(NC(=O)CSC2CCNCC2)ccc1=O
InChIInChI=1S/C14H21N3O2S/c1-2-17-9-11(3-4-14(17)19)16-13(18)10-20-12-5-7-15-8-6-12/h3-4,9,12,15H,2,5-8,10H2,1H3,(H,16,18)
InChIKeyXTAIURPTFHSZON-UHFFFAOYSA-N
XLogP1.29
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-2-piperidin-4-ylsulfanylacetamide (CID 114626884) is N-(1-ethyl-6-oxo-3-pyridinyl)-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(1-ethyl-6-oxo-3-pyridinyl)-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(1-ethyl-6-oxo-3-pyridinyl)-2-piperidin-4-ylsulfanylacetamide is CCn1cc(NC(=O)CSC2CCNCC2)ccc1=O.
What is the InChIKey of N-(1-ethyl-6-oxo-3-pyridinyl)-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is XTAIURPTFHSZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-2-17-9-11(3-4-14(17)19)16-13(18)10-20-12-5-7-15-8-6-12/h3-4,9,12,15H,2,5-8,10H2,1H3,(H,16,18).
What are the key properties of N-(1-ethyl-6-oxo-3-pyridinyl)-2-piperidin-4-ylsulfanylacetamide?
N-(1-ethyl-6-oxo-3-pyridinyl)-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 295.41 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-6-oxo-3-pyridinyl)-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114626884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).