4-ethyl-2-phenyl-2-piperidin-1-yl-1,4-benzothiazin-3-one

C21H24N2OS — CID 18675271

IUPAC4-ethyl-2-phenyl-2-piperidin-1-yl-1,4-benzothiazin-3-one
SMILESCCN1C(=O)C(c2ccccc2)(N2CCCCC2)Sc2ccccc21
InChIInChI=1S/C21H24N2OS/c1-2-23-18-13-7-8-14-19(18)25-21(20(23)24,17-11-5-3-6-12-17)22-15-9-4-10-16-22/h3,5-8,11-14H,2,4,9-10,15-16H2,1H3
InChIKeyXRFUKIWZHMDJOF-UHFFFAOYSA-N
MW352.50 g/mol
LogP4.48
Rot. Bonds3

About 4-ethyl-2-phenyl-2-piperidin-1-yl-1,4-benzothiazin-3-one

4-ethyl-2-phenyl-2-piperidin-1-yl-1,4-benzothiazin-3-one (PubChem CID 18675271) has the molecular formula C21H24N2OS and a molecular weight of 352.50 g/mol. Its IUPAC name is 4-ethyl-2-phenyl-2-piperidin-1-yl-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name4-ethyl-2-phenyl-2-piperidin-1-yl-1,4-benzothiazin-3-one
PubChem CID18675271
Molecular FormulaC21H24N2OS
Molecular Weight352.50 g/mol
Exact Mass352.16
IUPAC Name4-ethyl-2-phenyl-2-piperidin-1-yl-1,4-benzothiazin-3-one
SMILESCCN1C(=O)C(c2ccccc2)(N2CCCCC2)Sc2ccccc21
InChIInChI=1S/C21H24N2OS/c1-2-23-18-13-7-8-14-19(18)25-21(20(23)24,17-11-5-3-6-12-17)22-15-9-4-10-16-22/h3,5-8,11-14H,2,4,9-10,15-16H2,1H3
InChIKeyXRFUKIWZHMDJOF-UHFFFAOYSA-N
XLogP4.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-phenyl-2-piperidin-1-yl-1,4-benzothiazin-3-one?
The IUPAC name of 4-ethyl-2-phenyl-2-piperidin-1-yl-1,4-benzothiazin-3-one (CID 18675271) is 4-ethyl-2-phenyl-2-piperidin-1-yl-1,4-benzothiazin-3-one.
What is the SMILES notation for 4-ethyl-2-phenyl-2-piperidin-1-yl-1,4-benzothiazin-3-one?
The canonical SMILES for 4-ethyl-2-phenyl-2-piperidin-1-yl-1,4-benzothiazin-3-one is CCN1C(=O)C(c2ccccc2)(N2CCCCC2)Sc2ccccc21.
What is the InChIKey of 4-ethyl-2-phenyl-2-piperidin-1-yl-1,4-benzothiazin-3-one?
The InChIKey is XRFUKIWZHMDJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2OS/c1-2-23-18-13-7-8-14-19(18)25-21(20(23)24,17-11-5-3-6-12-17)22-15-9-4-10-16-22/h3,5-8,11-14H,2,4,9-10,15-16H2,1H3.
What are the key properties of 4-ethyl-2-phenyl-2-piperidin-1-yl-1,4-benzothiazin-3-one?
4-ethyl-2-phenyl-2-piperidin-1-yl-1,4-benzothiazin-3-one has a molecular weight of 352.50 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-phenyl-2-piperidin-1-yl-1,4-benzothiazin-3-one is sourced from PubChem (CID 18675271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).