(2S)-2-naphthalen-1-yloxy-2-phenyl-1-piperidin-1-ylethanone

C23H23NO2 — CID 7697331

IUPAC(2S)-2-naphthalen-1-yloxy-2-phenyl-1-piperidin-1-ylethanone
SMILESO=C([C@@H](Oc1cccc2ccccc12)c1ccccc1)N1CCCCC1
InChIInChI=1S/C23H23NO2/c25-23(24-16-7-2-8-17-24)22(19-11-3-1-4-12-19)26-21-15-9-13-18-10-5-6-14-20(18)21/h1,3-6,9-15,22H,2,7-8,16-17H2/t22-/m0/s1
InChIKeyAVIUUPLJEQFNSP-QFIPXVFZSA-N
MW345.44 g/mol
LogP4.97
Rot. Bonds4

About (2S)-2-naphthalen-1-yloxy-2-phenyl-1-piperidin-1-ylethanone

(2S)-2-naphthalen-1-yloxy-2-phenyl-1-piperidin-1-ylethanone (PubChem CID 7697331) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is (2S)-2-naphthalen-1-yloxy-2-phenyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name(2S)-2-naphthalen-1-yloxy-2-phenyl-1-piperidin-1-ylethanone
PubChem CID7697331
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name(2S)-2-naphthalen-1-yloxy-2-phenyl-1-piperidin-1-ylethanone
SMILESO=C([C@@H](Oc1cccc2ccccc12)c1ccccc1)N1CCCCC1
InChIInChI=1S/C23H23NO2/c25-23(24-16-7-2-8-17-24)22(19-11-3-1-4-12-19)26-21-15-9-13-18-10-5-6-14-20(18)21/h1,3-6,9-15,22H,2,7-8,16-17H2/t22-/m0/s1
InChIKeyAVIUUPLJEQFNSP-QFIPXVFZSA-N
XLogP4.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethoxy]benzamide
CID 8001851
(2S)-2-(2-nitrophenoxy)-2-phenyl-1-piperidin-1-ylethanone
CID 7697246
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
(2R)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-piperidin-1-ylethanone
CID 7700726
(2S)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-piperidin-1-ylethanone
CID 7700724
(2S)-2-[(2-nitro-3-pyridinyl)oxy]-2-phenyl-1-piperidin-1-ylethanone
CID 40657752
(2R)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 7700719
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) isoquinoline-1-carboxylate
CID 56799706
4-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]benzonitrile
CID 7697193
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate
CID 901702
(2R)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 40520630
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-naphthalen-2-ylsulfanylacetate
CID 7700584

Frequently Asked Questions

What is the IUPAC name of (2S)-2-naphthalen-1-yloxy-2-phenyl-1-piperidin-1-ylethanone?
The IUPAC name of (2S)-2-naphthalen-1-yloxy-2-phenyl-1-piperidin-1-ylethanone (CID 7697331) is (2S)-2-naphthalen-1-yloxy-2-phenyl-1-piperidin-1-ylethanone.
What is the SMILES notation for (2S)-2-naphthalen-1-yloxy-2-phenyl-1-piperidin-1-ylethanone?
The canonical SMILES for (2S)-2-naphthalen-1-yloxy-2-phenyl-1-piperidin-1-ylethanone is O=C([C@@H](Oc1cccc2ccccc12)c1ccccc1)N1CCCCC1.
What is the InChIKey of (2S)-2-naphthalen-1-yloxy-2-phenyl-1-piperidin-1-ylethanone?
The InChIKey is AVIUUPLJEQFNSP-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H23NO2/c25-23(24-16-7-2-8-17-24)22(19-11-3-1-4-12-19)26-21-15-9-13-18-10-5-6-14-20(18)21/h1,3-6,9-15,22H,2,7-8,16-17H2/t22-/m0/s1.
What are the key properties of (2S)-2-naphthalen-1-yloxy-2-phenyl-1-piperidin-1-ylethanone?
(2S)-2-naphthalen-1-yloxy-2-phenyl-1-piperidin-1-ylethanone has a molecular weight of 345.44 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-naphthalen-1-yloxy-2-phenyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 7697331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).