3-[2-[(5S)-5-methyl-2-oxo-5-phenylpiperidin-1-yl]ethyl]-1,3-oxazolidin-2-one

C17H22N2O3 — CID 97125748

IUPAC3-[2-[(5S)-5-methyl-2-oxo-5-phenylpiperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESC[C@@]1(c2ccccc2)CCC(=O)N(CCN2CCOC2=O)C1
InChIInChI=1S/C17H22N2O3/c1-17(14-5-3-2-4-6-14)8-7-15(20)19(13-17)10-9-18-11-12-22-16(18)21/h2-6H,7-13H2,1H3/t17-/m1/s1
InChIKeyRZUFGZIZXPYCLH-QGZVFWFLSA-N
MW302.37 g/mol
LogP2.02
Rot. Bonds4

About 3-[2-[(5S)-5-methyl-2-oxo-5-phenylpiperidin-1-yl]ethyl]-1,3-oxazolidin-2-one

3-[2-[(5S)-5-methyl-2-oxo-5-phenylpiperidin-1-yl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 97125748) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-[2-[(5S)-5-methyl-2-oxo-5-phenylpiperidin-1-yl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[(5S)-5-methyl-2-oxo-5-phenylpiperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
PubChem CID97125748
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name3-[2-[(5S)-5-methyl-2-oxo-5-phenylpiperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESC[C@@]1(c2ccccc2)CCC(=O)N(CCN2CCOC2=O)C1
InChIInChI=1S/C17H22N2O3/c1-17(14-5-3-2-4-6-14)8-7-15(20)19(13-17)10-9-18-11-12-22-16(18)21/h2-6H,7-13H2,1H3/t17-/m1/s1
InChIKeyRZUFGZIZXPYCLH-QGZVFWFLSA-N
XLogP2.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[2-[(5S)-5-methyl-2-oxo-5-phenylpiperidin-1-yl]ethyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

5-methyl-1-(2-methylsulfonylethyl)-5-phenylpiperidin-2-one
CID 70756405
5-methyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-phenylpiperidin-2-one
CID 70788411
(5S)-1-(2-imidazol-1-ylethyl)-5-methyl-5-phenylpiperidin-2-one
CID 97146233
5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one
CID 70732107
(5S)-5-methyl-1-[(1-morpholin-4-ylcyclopentyl)methyl]-5-phenylpiperidin-2-one
CID 97127089
5-methyl-5-phenyl-1-(2-pyrazin-2-ylethyl)piperidin-2-one
CID 70730500
(5S)-5-methyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-phenylpiperidin-2-one
CID 97128931
5-methyl-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5-phenylpiperidin-2-one
CID 72913001
1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylpiperidin-2-one
CID 70706844
(5S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-5-phenylpiperidin-2-one
CID 97151583
1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylpiperidin-2-one
CID 70751427
3-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-phenylethyl)propanamide
CID 47377794

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5S)-5-methyl-2-oxo-5-phenylpiperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[(5S)-5-methyl-2-oxo-5-phenylpiperidin-1-yl]ethyl]-1,3-oxazolidin-2-one (CID 97125748) is 3-[2-[(5S)-5-methyl-2-oxo-5-phenylpiperidin-1-yl]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[(5S)-5-methyl-2-oxo-5-phenylpiperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[(5S)-5-methyl-2-oxo-5-phenylpiperidin-1-yl]ethyl]-1,3-oxazolidin-2-one is C[C@@]1(c2ccccc2)CCC(=O)N(CCN2CCOC2=O)C1.
What is the InChIKey of 3-[2-[(5S)-5-methyl-2-oxo-5-phenylpiperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is RZUFGZIZXPYCLH-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-17(14-5-3-2-4-6-14)8-7-15(20)19(13-17)10-9-18-11-12-22-16(18)21/h2-6H,7-13H2,1H3/t17-/m1/s1.
What are the key properties of 3-[2-[(5S)-5-methyl-2-oxo-5-phenylpiperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
3-[2-[(5S)-5-methyl-2-oxo-5-phenylpiperidin-1-yl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 302.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5S)-5-methyl-2-oxo-5-phenylpiperidin-1-yl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 97125748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).