(2-oxo-2-piperidin-1-ylethyl) 2-phenylsulfanylpyridine-3-carboxylate

C19H20N2O3S — CID 16515105

IUPAC(2-oxo-2-piperidin-1-ylethyl) 2-phenylsulfanylpyridine-3-carboxylate
SMILESO=C(OCC(=O)N1CCCCC1)c1cccnc1Sc1ccccc1
InChIInChI=1S/C19H20N2O3S/c22-17(21-12-5-2-6-13-21)14-24-19(23)16-10-7-11-20-18(16)25-15-8-3-1-4-9-15/h1,3-4,7-11H,2,5-6,12-14H2
InChIKeyRJMKFXWJLBVJFU-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.40
Rot. Bonds5

About (2-oxo-2-piperidin-1-ylethyl) 2-phenylsulfanylpyridine-3-carboxylate

(2-oxo-2-piperidin-1-ylethyl) 2-phenylsulfanylpyridine-3-carboxylate (PubChem CID 16515105) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 2-phenylsulfanylpyridine-3-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 2-phenylsulfanylpyridine-3-carboxylate
PubChem CID16515105
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 2-phenylsulfanylpyridine-3-carboxylate
SMILESO=C(OCC(=O)N1CCCCC1)c1cccnc1Sc1ccccc1
InChIInChI=1S/C19H20N2O3S/c22-17(21-12-5-2-6-13-21)14-24-19(23)16-10-7-11-20-18(16)25-15-8-3-1-4-9-15/h1,3-4,7-11H,2,5-6,12-14H2
InChIKeyRJMKFXWJLBVJFU-UHFFFAOYSA-N
XLogP3.40
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate
CID 18080738
[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate
CID 30432280
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate
CID 55400423
[2-oxo-2-(3-oxopiperazin-1-yl)ethyl] 2-phenylsulfanylpyridine-3-carboxylate
CID 56829114
(2-phenylsulfanyl-3-pyridinyl)-pyrrolidin-1-ylmethanone
CID 78774467
[2-(2-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate
CID 55400404
[2-(azocan-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55441256
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 8765128
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 9343773
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-phenylsulfanylpyridine-3-carboxylate
CID 16515027
[2-(azepan-1-yl)-2-oxoethyl] benzoate
CID 2357110
[2-oxo-2-(3-phenylpropylamino)ethyl] 2-phenylsulfanylpyridine-3-carboxylate
CID 30432250

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-phenylsulfanylpyridine-3-carboxylate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-phenylsulfanylpyridine-3-carboxylate (CID 16515105) is (2-oxo-2-piperidin-1-ylethyl) 2-phenylsulfanylpyridine-3-carboxylate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 2-phenylsulfanylpyridine-3-carboxylate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 2-phenylsulfanylpyridine-3-carboxylate is O=C(OCC(=O)N1CCCCC1)c1cccnc1Sc1ccccc1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 2-phenylsulfanylpyridine-3-carboxylate?
The InChIKey is RJMKFXWJLBVJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c22-17(21-12-5-2-6-13-21)14-24-19(23)16-10-7-11-20-18(16)25-15-8-3-1-4-9-15/h1,3-4,7-11H,2,5-6,12-14H2.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 2-phenylsulfanylpyridine-3-carboxylate?
(2-oxo-2-piperidin-1-ylethyl) 2-phenylsulfanylpyridine-3-carboxylate has a molecular weight of 356.45 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 2-phenylsulfanylpyridine-3-carboxylate is sourced from PubChem (CID 16515105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).