(3S)-3-benzyl-3-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one

C22H27NO2 — CID 16723841

IUPAC(3S)-3-benzyl-3-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one
SMILESCC[C@@]1(Cc2ccccc2)CCCN([C@@H](CO)c2ccccc2)C1=O
InChIInChI=1S/C22H27NO2/c1-2-22(16-18-10-5-3-6-11-18)14-9-15-23(21(22)25)20(17-24)19-12-7-4-8-13-19/h3-8,10-13,20,24H,2,9,14-17H2,1H3/t20-,22-/m0/s1
InChIKeyAMDFBHUPWIKCSS-UNMCSNQZSA-N
MW337.46 g/mol
LogP3.98
Rot. Bonds6

About (3S)-3-benzyl-3-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one

(3S)-3-benzyl-3-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one (PubChem CID 16723841) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is (3S)-3-benzyl-3-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-benzyl-3-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one
PubChem CID16723841
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name(3S)-3-benzyl-3-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one
SMILESCC[C@@]1(Cc2ccccc2)CCCN([C@@H](CO)c2ccccc2)C1=O
InChIInChI=1S/C22H27NO2/c1-2-22(16-18-10-5-3-6-11-18)14-9-15-23(21(22)25)20(17-24)19-12-7-4-8-13-19/h3-8,10-13,20,24H,2,9,14-17H2,1H3/t20-,22-/m0/s1
InChIKeyAMDFBHUPWIKCSS-UNMCSNQZSA-N
XLogP3.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-benzyl-3-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one?
The IUPAC name of (3S)-3-benzyl-3-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one (CID 16723841) is (3S)-3-benzyl-3-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one.
What is the SMILES notation for (3S)-3-benzyl-3-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one?
The canonical SMILES for (3S)-3-benzyl-3-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one is CC[C@@]1(Cc2ccccc2)CCCN([C@@H](CO)c2ccccc2)C1=O.
What is the InChIKey of (3S)-3-benzyl-3-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one?
The InChIKey is AMDFBHUPWIKCSS-UNMCSNQZSA-N. The full InChI is InChI=1S/C22H27NO2/c1-2-22(16-18-10-5-3-6-11-18)14-9-15-23(21(22)25)20(17-24)19-12-7-4-8-13-19/h3-8,10-13,20,24H,2,9,14-17H2,1H3/t20-,22-/m0/s1.
What are the key properties of (3S)-3-benzyl-3-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one?
(3S)-3-benzyl-3-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one has a molecular weight of 337.46 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-benzyl-3-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one is sourced from PubChem (CID 16723841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).