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

C18H22N2O4S — CID 24793820

IUPAC3-[2-[3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCSc1ccc(C(=O)C2CCCN(C(=O)CN3CCOC3=O)C2)cc1
InChIInChI=1S/C18H22N2O4S/c1-25-15-6-4-13(5-7-15)17(22)14-3-2-8-19(11-14)16(21)12-20-9-10-24-18(20)23/h4-7,14H,2-3,8-12H2,1H3
InChIKeyKNTHAZDEYADHKP-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.28
Rot. Bonds5

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

3-[2-[3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 24793820) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 3-[2-[3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID24793820
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name3-[2-[3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCSc1ccc(C(=O)C2CCCN(C(=O)CN3CCOC3=O)C2)cc1
InChIInChI=1S/C18H22N2O4S/c1-25-15-6-4-13(5-7-15)17(22)14-3-2-8-19(11-14)16(21)12-20-9-10-24-18(20)23/h4-7,14H,2-3,8-12H2,1H3
InChIKeyKNTHAZDEYADHKP-UHFFFAOYSA-N
XLogP2.28
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-Oxo-2-{3-[3-(trifluoromethyl)benzoyl]-1-piperidinyl}ethyl)-1,3-oxazolidin-2-one
CID 24793979
ethyl N-({3-[2-(methylthio)benzoyl]-1-piperidinyl}carbonyl)glycinate
CID 16188578
3-[2-oxo-2-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 26315861
3-[2-oxo-2-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 26315862
2-[4-[2-(4-Acetyl-2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55376313
2-Methylpropyl 4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]piperazine-1-carboxylate
CID 56291376
Methyl 4-{3-[4-(methylthio)benzoyl]-1-piperidinyl}-4-oxobutanoate
CID 45208875
N-[(1-ethyl-2-pyrrolidinyl)methyl]-N-{[1-(2-methoxyethyl)-4-piperidinyl]methyl}-4-(methylthio)benzamide
CID 45238241
3-[2-Oxo-2-[3-(4-phenylbenzoyl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 45248414
ethyl N-({3-[4-(methylthio)benzoyl]-1-piperidinyl}carbonyl)glycinate
CID 45251746
1-(2-{3-[4-(Methylthio)benzoyl]piperidin-1-yl}ethyl)pyrrolidin-2-one
CID 56864703
Ethyl 1-[4-(4-methylsulfanylphenyl)-4-oxobutanoyl]piperidine-2-carboxylate
CID 132453514

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 24793820) is 3-[2-[3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is CSc1ccc(C(=O)C2CCCN(C(=O)CN3CCOC3=O)C2)cc1.
What is the InChIKey of 3-[2-[3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is KNTHAZDEYADHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-25-15-6-4-13(5-7-15)17(22)14-3-2-8-19(11-14)16(21)12-20-9-10-24-18(20)23/h4-7,14H,2-3,8-12H2,1H3.
What are the key properties of 3-[2-[3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-[3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 362.45 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 24793820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).