2-(2-oxo-1,3-benzothiazol-3-yl)-N-piperidin-1-ylacetamide

C14H17N3O2S — CID 14221224

IUPAC2-(2-oxo-1,3-benzothiazol-3-yl)-N-piperidin-1-ylacetamide
SMILESO=C(Cn1c(=O)sc2ccccc21)NN1CCCCC1
InChIInChI=1S/C14H17N3O2S/c18-13(15-16-8-4-1-5-9-16)10-17-11-6-2-3-7-12(11)20-14(17)19/h2-3,6-7H,1,4-5,8-10H2,(H,15,18)
InChIKeyBYTVVHFDMIDAFU-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.58
Rot. Bonds3

About 2-(2-oxo-1,3-benzothiazol-3-yl)-N-piperidin-1-ylacetamide

2-(2-oxo-1,3-benzothiazol-3-yl)-N-piperidin-1-ylacetamide (PubChem CID 14221224) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzothiazol-3-yl)-N-piperidin-1-ylacetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzothiazol-3-yl)-N-piperidin-1-ylacetamide
PubChem CID14221224
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-(2-oxo-1,3-benzothiazol-3-yl)-N-piperidin-1-ylacetamide
SMILESO=C(Cn1c(=O)sc2ccccc21)NN1CCCCC1
InChIInChI=1S/C14H17N3O2S/c18-13(15-16-8-4-1-5-9-16)10-17-11-6-2-3-7-12(11)20-14(17)19/h2-3,6-7H,1,4-5,8-10H2,(H,15,18)
InChIKeyBYTVVHFDMIDAFU-UHFFFAOYSA-N
XLogP1.58
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-benzothiazol-3-yl)-N-piperidin-1-ylacetamide?
The IUPAC name of 2-(2-oxo-1,3-benzothiazol-3-yl)-N-piperidin-1-ylacetamide (CID 14221224) is 2-(2-oxo-1,3-benzothiazol-3-yl)-N-piperidin-1-ylacetamide.
What is the SMILES notation for 2-(2-oxo-1,3-benzothiazol-3-yl)-N-piperidin-1-ylacetamide?
The canonical SMILES for 2-(2-oxo-1,3-benzothiazol-3-yl)-N-piperidin-1-ylacetamide is O=C(Cn1c(=O)sc2ccccc21)NN1CCCCC1.
What is the InChIKey of 2-(2-oxo-1,3-benzothiazol-3-yl)-N-piperidin-1-ylacetamide?
The InChIKey is BYTVVHFDMIDAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-13(15-16-8-4-1-5-9-16)10-17-11-6-2-3-7-12(11)20-14(17)19/h2-3,6-7H,1,4-5,8-10H2,(H,15,18).
What are the key properties of 2-(2-oxo-1,3-benzothiazol-3-yl)-N-piperidin-1-ylacetamide?
2-(2-oxo-1,3-benzothiazol-3-yl)-N-piperidin-1-ylacetamide has a molecular weight of 291.38 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-benzothiazol-3-yl)-N-piperidin-1-ylacetamide is sourced from PubChem (CID 14221224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).