3-[4-[2-[3-(4-ethylphenyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1,3-oxazolidin-2-one

C24H28N2O3 — CID 126809257

IUPAC3-[4-[2-[3-(4-ethylphenyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1,3-oxazolidin-2-one
SMILESCCc1ccc(C2CCCN(C(=O)Cc3ccc(N4CCOC4=O)cc3)C2)cc1
InChIInChI=1S/C24H28N2O3/c1-2-18-5-9-20(10-6-18)21-4-3-13-25(17-21)23(27)16-19-7-11-22(12-8-19)26-14-15-29-24(26)28/h5-12,21H,2-4,13-17H2,1H3
InChIKeyROTJGMMXOZUZHD-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.15
Rot. Bonds5

About 3-[4-[2-[3-(4-ethylphenyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1,3-oxazolidin-2-one

3-[4-[2-[3-(4-ethylphenyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 126809257) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-[4-[2-[3-(4-ethylphenyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[2-[3-(4-ethylphenyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID126809257
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name3-[4-[2-[3-(4-ethylphenyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1,3-oxazolidin-2-one
SMILESCCc1ccc(C2CCCN(C(=O)Cc3ccc(N4CCOC4=O)cc3)C2)cc1
InChIInChI=1S/C24H28N2O3/c1-2-18-5-9-20(10-6-18)21-4-3-13-25(17-21)23(27)16-19-7-11-22(12-8-19)26-14-15-29-24(26)28/h5-12,21H,2-4,13-17H2,1H3
InChIKeyROTJGMMXOZUZHD-UHFFFAOYSA-N
XLogP4.15
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-cyclohexylphenyl)-1,3-oxazolidin-2-one
CID 170782737
3-anilino-N-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]piperidine-1-carboxamide
CID 126769031
3-[4-[(3R)-3-ethylsulfanylazepane-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
CID 95622851
1-[3-(4-chlorophenyl)azepan-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 121146543
2-(4-cyclohexylphenyl)-1-morpholin-4-ylethanone
CID 110767551
1-[2-(4-ethylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110364011
1-[(3R)-3-hydroxypiperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 93040634
1-[3-(4-chlorophenyl)azepan-1-yl]-2-(4-phenylphenyl)ethanone
CID 121146584
2-(1,3-benzodioxol-5-yl)-1-[3-(4-chlorophenyl)azepan-1-yl]ethanone
CID 121146655
3-[4-(propylaminomethyl)phenyl]-1,3-oxazolidin-2-one
CID 106913294
N-(4-cyclopropylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 123386905
(E)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-enoic acid
CID 115342398

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[3-(4-ethylphenyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[2-[3-(4-ethylphenyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1,3-oxazolidin-2-one (CID 126809257) is 3-[4-[2-[3-(4-ethylphenyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[2-[3-(4-ethylphenyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[2-[3-(4-ethylphenyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1,3-oxazolidin-2-one is CCc1ccc(C2CCCN(C(=O)Cc3ccc(N4CCOC4=O)cc3)C2)cc1.
What is the InChIKey of 3-[4-[2-[3-(4-ethylphenyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is ROTJGMMXOZUZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-2-18-5-9-20(10-6-18)21-4-3-13-25(17-21)23(27)16-19-7-11-22(12-8-19)26-14-15-29-24(26)28/h5-12,21H,2-4,13-17H2,1H3.
What are the key properties of 3-[4-[2-[3-(4-ethylphenyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1,3-oxazolidin-2-one?
3-[4-[2-[3-(4-ethylphenyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 392.50 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[3-(4-ethylphenyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 126809257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).