2-(2-piperidin-4-yloxyethyl)-1,2-benzothiazol-3-one

C14H18N2O2S — CID 81435043

IUPAC2-(2-piperidin-4-yloxyethyl)-1,2-benzothiazol-3-one
SMILESO=c1c2ccccc2sn1CCOC1CCNCC1
InChIInChI=1S/C14H18N2O2S/c17-14-12-3-1-2-4-13(12)19-16(14)9-10-18-11-5-7-15-8-6-11/h1-4,11,15H,5-10H2
InChIKeyUYXZMQKAXNBNAA-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.83
Rot. Bonds4

About 2-(2-piperidin-4-yloxyethyl)-1,2-benzothiazol-3-one

2-(2-piperidin-4-yloxyethyl)-1,2-benzothiazol-3-one (PubChem CID 81435043) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-(2-piperidin-4-yloxyethyl)-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name2-(2-piperidin-4-yloxyethyl)-1,2-benzothiazol-3-one
PubChem CID81435043
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-(2-piperidin-4-yloxyethyl)-1,2-benzothiazol-3-one
SMILESO=c1c2ccccc2sn1CCOC1CCNCC1
InChIInChI=1S/C14H18N2O2S/c17-14-12-3-1-2-4-13(12)19-16(14)9-10-18-11-5-7-15-8-6-11/h1-4,11,15H,5-10H2
InChIKeyUYXZMQKAXNBNAA-UHFFFAOYSA-N
XLogP1.83
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-4-yloxyethyl)-1,2-benzothiazol-3-one?
The IUPAC name of 2-(2-piperidin-4-yloxyethyl)-1,2-benzothiazol-3-one (CID 81435043) is 2-(2-piperidin-4-yloxyethyl)-1,2-benzothiazol-3-one.
What is the SMILES notation for 2-(2-piperidin-4-yloxyethyl)-1,2-benzothiazol-3-one?
The canonical SMILES for 2-(2-piperidin-4-yloxyethyl)-1,2-benzothiazol-3-one is O=c1c2ccccc2sn1CCOC1CCNCC1.
What is the InChIKey of 2-(2-piperidin-4-yloxyethyl)-1,2-benzothiazol-3-one?
The InChIKey is UYXZMQKAXNBNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-14-12-3-1-2-4-13(12)19-16(14)9-10-18-11-5-7-15-8-6-11/h1-4,11,15H,5-10H2.
What are the key properties of 2-(2-piperidin-4-yloxyethyl)-1,2-benzothiazol-3-one?
2-(2-piperidin-4-yloxyethyl)-1,2-benzothiazol-3-one has a molecular weight of 278.38 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-4-yloxyethyl)-1,2-benzothiazol-3-one is sourced from PubChem (CID 81435043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).