[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-naphthalen-2-ylsulfanylacetate

C25H25NO3S — CID 7700584

IUPAC[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-naphthalen-2-ylsulfanylacetate
SMILESO=C(CSc1ccc2ccccc2c1)O[C@H](C(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C25H25NO3S/c27-23(18-30-22-14-13-19-9-5-6-12-21(19)17-22)29-24(20-10-3-1-4-11-20)25(28)26-15-7-2-8-16-26/h1,3-6,9-14,17,24H,2,7-8,15-16,18H2/t24-/m0/s1
InChIKeyYPGGUKUWBCHWGJ-DEOSSOPVSA-N
MW419.55 g/mol
LogP5.23
Rot. Bonds6

About [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-naphthalen-2-ylsulfanylacetate

[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-naphthalen-2-ylsulfanylacetate (PubChem CID 7700584) has the molecular formula C25H25NO3S and a molecular weight of 419.55 g/mol. Its IUPAC name is [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-naphthalen-2-ylsulfanylacetate.

Molecular Properties

Compound Name[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-naphthalen-2-ylsulfanylacetate
PubChem CID7700584
Molecular FormulaC25H25NO3S
Molecular Weight419.55 g/mol
Exact Mass419.16
IUPAC Name[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-naphthalen-2-ylsulfanylacetate
SMILESO=C(CSc1ccc2ccccc2c1)O[C@H](C(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C25H25NO3S/c27-23(18-30-22-14-13-19-9-5-6-12-21(19)17-22)29-24(20-10-3-1-4-11-20)25(28)26-15-7-2-8-16-26/h1,3-6,9-14,17,24H,2,7-8,15-16,18H2/t24-/m0/s1
InChIKeyYPGGUKUWBCHWGJ-DEOSSOPVSA-N
XLogP5.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.55
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-2-naphthalen-2-ylsulfanylethanone
CID 56736237
[(1R)-2-(diethylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate
CID 9205201
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate
CID 7795814
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 46825038
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate
CID 901702
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
(2S)-2-naphthalen-1-yloxy-2-phenyl-1-piperidin-1-ylethanone
CID 7697331
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 2-[4-(difluoromethoxy)phenyl]acetate
CID 55391856
7-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]chromen-2-one
CID 7715462
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7703317
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 7698906
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-aminobenzoate
CID 7602095

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-naphthalen-2-ylsulfanylacetate?
The IUPAC name of [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-naphthalen-2-ylsulfanylacetate (CID 7700584) is [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-naphthalen-2-ylsulfanylacetate.
What is the SMILES notation for [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-naphthalen-2-ylsulfanylacetate?
The canonical SMILES for [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-naphthalen-2-ylsulfanylacetate is O=C(CSc1ccc2ccccc2c1)O[C@H](C(=O)N1CCCCC1)c1ccccc1.
What is the InChIKey of [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-naphthalen-2-ylsulfanylacetate?
The InChIKey is YPGGUKUWBCHWGJ-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H25NO3S/c27-23(18-30-22-14-13-19-9-5-6-12-21(19)17-22)29-24(20-10-3-1-4-11-20)25(28)26-15-7-2-8-16-26/h1,3-6,9-14,17,24H,2,7-8,15-16,18H2/t24-/m0/s1.
What are the key properties of [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-naphthalen-2-ylsulfanylacetate?
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-naphthalen-2-ylsulfanylacetate has a molecular weight of 419.55 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-naphthalen-2-ylsulfanylacetate is sourced from PubChem (CID 7700584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).