1-[(2S)-3-ethoxy-2-hydroxypropyl]-5,5-diphenylpiperidin-2-one

C22H27NO3 — CID 97130378

IUPAC1-[(2S)-3-ethoxy-2-hydroxypropyl]-5,5-diphenylpiperidin-2-one
SMILESCCOC[C@@H](O)CN1CC(c2ccccc2)(c2ccccc2)CCC1=O
InChIInChI=1S/C22H27NO3/c1-2-26-16-20(24)15-23-17-22(14-13-21(23)25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,24H,2,13-17H2,1H3/t20-/m0/s1
InChIKeyALUDPOVUKBZUNV-FQEVSTJZSA-N
MW353.46 g/mol
LogP2.99
Rot. Bonds7

About 1-[(2S)-3-ethoxy-2-hydroxypropyl]-5,5-diphenylpiperidin-2-one

1-[(2S)-3-ethoxy-2-hydroxypropyl]-5,5-diphenylpiperidin-2-one (PubChem CID 97130378) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 1-[(2S)-3-ethoxy-2-hydroxypropyl]-5,5-diphenylpiperidin-2-one.

Molecular Properties

Compound Name1-[(2S)-3-ethoxy-2-hydroxypropyl]-5,5-diphenylpiperidin-2-one
PubChem CID97130378
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name1-[(2S)-3-ethoxy-2-hydroxypropyl]-5,5-diphenylpiperidin-2-one
SMILESCCOC[C@@H](O)CN1CC(c2ccccc2)(c2ccccc2)CCC1=O
InChIInChI=1S/C22H27NO3/c1-2-26-16-20(24)15-23-17-22(14-13-21(23)25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,24H,2,13-17H2,1H3/t20-/m0/s1
InChIKeyALUDPOVUKBZUNV-FQEVSTJZSA-N
XLogP2.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-3-ethoxy-2-hydroxypropyl]-5,5-diphenylpiperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-2-(4-methylpiperazin-1-yl)propyl]-5,5-diphenylpiperidin-2-one
CID 97113843
1-ethoxy-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol
CID 63933575
1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5,5-diphenylpiperidin-2-one
CID 72938198
1-(3-ethoxy-2-hydroxypropyl)piperidin-4-one
CID 63931756
2-(3-ethoxy-2-hydroxypropyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104559511
1-ethoxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 63934170
1-(3-ethoxy-2-hydroxypropyl)-2,3-dihydroindole-2-carboxylic acid
CID 80566995
4-[3-(2-oxo-5,5-diphenylpiperidin-1-yl)propyl]piperazin-2-one
CID 72838828
[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95346797
5-ethyl-1-(2-hydroxy-3-propoxypropyl)-5-phenyl-1,3-diazinane-2,4,6-trione
CID 23621858
(2R)-1-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-2-phenoxypropan-1-one
CID 95341869
(2S)-1-[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-2-phenoxypropan-1-one
CID 95341872

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-ethoxy-2-hydroxypropyl]-5,5-diphenylpiperidin-2-one?
The IUPAC name of 1-[(2S)-3-ethoxy-2-hydroxypropyl]-5,5-diphenylpiperidin-2-one (CID 97130378) is 1-[(2S)-3-ethoxy-2-hydroxypropyl]-5,5-diphenylpiperidin-2-one.
What is the SMILES notation for 1-[(2S)-3-ethoxy-2-hydroxypropyl]-5,5-diphenylpiperidin-2-one?
The canonical SMILES for 1-[(2S)-3-ethoxy-2-hydroxypropyl]-5,5-diphenylpiperidin-2-one is CCOC[C@@H](O)CN1CC(c2ccccc2)(c2ccccc2)CCC1=O.
What is the InChIKey of 1-[(2S)-3-ethoxy-2-hydroxypropyl]-5,5-diphenylpiperidin-2-one?
The InChIKey is ALUDPOVUKBZUNV-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H27NO3/c1-2-26-16-20(24)15-23-17-22(14-13-21(23)25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,24H,2,13-17H2,1H3/t20-/m0/s1.
What are the key properties of 1-[(2S)-3-ethoxy-2-hydroxypropyl]-5,5-diphenylpiperidin-2-one?
1-[(2S)-3-ethoxy-2-hydroxypropyl]-5,5-diphenylpiperidin-2-one has a molecular weight of 353.46 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-ethoxy-2-hydroxypropyl]-5,5-diphenylpiperidin-2-one is sourced from PubChem (CID 97130378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).