3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C19H24N2O3S — CID 3751999

IUPAC3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(CCSC=Cc1ccccc1)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C19H24N2O3S/c22-18(9-15-25-14-8-16-4-2-1-3-5-16)20-10-6-17(7-11-20)21-12-13-24-19(21)23/h1-5,8,14,17H,6-7,9-13,15H2
InChIKeyZOMHUAJBUQKQBI-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.22
Rot. Bonds6

About 3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one

3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3751999) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3751999
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(CCSC=Cc1ccccc1)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C19H24N2O3S/c22-18(9-15-25-14-8-16-4-2-1-3-5-16)20-10-6-17(7-11-20)21-12-13-24-19(21)23/h1-5,8,14,17H,6-7,9-13,15H2
InChIKeyZOMHUAJBUQKQBI-UHFFFAOYSA-N
XLogP3.22
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 3751999) is 3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one is O=C(CCSC=Cc1ccccc1)N1CCC(N2CCOC2=O)CC1.
What is the InChIKey of 3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is ZOMHUAJBUQKQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c22-18(9-15-25-14-8-16-4-2-1-3-5-16)20-10-6-17(7-11-20)21-12-13-24-19(21)23/h1-5,8,14,17H,6-7,9-13,15H2.
What are the key properties of 3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 360.48 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3751999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).