6-[4-[2-(1,3-thiazol-4-yl)ethoxy]phenyl]piperidin-2-one

C16H18N2O2S — CID 167867873

IUPAC6-[4-[2-(1,3-thiazol-4-yl)ethoxy]phenyl]piperidin-2-one
SMILESO=C1CCCC(c2ccc(OCCc3cscn3)cc2)N1
InChIInChI=1S/C16H18N2O2S/c19-16-3-1-2-15(18-16)12-4-6-14(7-5-12)20-9-8-13-10-21-11-17-13/h4-7,10-11,15H,1-3,8-9H2,(H,18,19)
InChIKeyQZXSDPUTCREVIH-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.11
Rot. Bonds5

About 6-[4-[2-(1,3-thiazol-4-yl)ethoxy]phenyl]piperidin-2-one

6-[4-[2-(1,3-thiazol-4-yl)ethoxy]phenyl]piperidin-2-one (PubChem CID 167867873) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 6-[4-[2-(1,3-thiazol-4-yl)ethoxy]phenyl]piperidin-2-one.

Molecular Properties

Compound Name6-[4-[2-(1,3-thiazol-4-yl)ethoxy]phenyl]piperidin-2-one
PubChem CID167867873
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name6-[4-[2-(1,3-thiazol-4-yl)ethoxy]phenyl]piperidin-2-one
SMILESO=C1CCCC(c2ccc(OCCc3cscn3)cc2)N1
InChIInChI=1S/C16H18N2O2S/c19-16-3-1-2-15(18-16)12-4-6-14(7-5-12)20-9-8-13-10-21-11-17-13/h4-7,10-11,15H,1-3,8-9H2,(H,18,19)
InChIKeyQZXSDPUTCREVIH-UHFFFAOYSA-N
XLogP3.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(1,3-thiazol-4-yl)ethoxy]phenyl]piperidin-2-one?
The IUPAC name of 6-[4-[2-(1,3-thiazol-4-yl)ethoxy]phenyl]piperidin-2-one (CID 167867873) is 6-[4-[2-(1,3-thiazol-4-yl)ethoxy]phenyl]piperidin-2-one.
What is the SMILES notation for 6-[4-[2-(1,3-thiazol-4-yl)ethoxy]phenyl]piperidin-2-one?
The canonical SMILES for 6-[4-[2-(1,3-thiazol-4-yl)ethoxy]phenyl]piperidin-2-one is O=C1CCCC(c2ccc(OCCc3cscn3)cc2)N1.
What is the InChIKey of 6-[4-[2-(1,3-thiazol-4-yl)ethoxy]phenyl]piperidin-2-one?
The InChIKey is QZXSDPUTCREVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-16-3-1-2-15(18-16)12-4-6-14(7-5-12)20-9-8-13-10-21-11-17-13/h4-7,10-11,15H,1-3,8-9H2,(H,18,19).
What are the key properties of 6-[4-[2-(1,3-thiazol-4-yl)ethoxy]phenyl]piperidin-2-one?
6-[4-[2-(1,3-thiazol-4-yl)ethoxy]phenyl]piperidin-2-one has a molecular weight of 302.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(1,3-thiazol-4-yl)ethoxy]phenyl]piperidin-2-one is sourced from PubChem (CID 167867873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).