N-(5-chloro-1,3-benzothiazol-4-yl)-2-piperidin-4-yloxyacetamide

C14H16ClN3O2S — CID 63877586

IUPACN-(5-chloro-1,3-benzothiazol-4-yl)-2-piperidin-4-yloxyacetamide
SMILESO=C(COC1CCNCC1)Nc1c(Cl)ccc2scnc12
InChIInChI=1S/C14H16ClN3O2S/c15-10-1-2-11-14(17-8-21-11)13(10)18-12(19)7-20-9-3-5-16-6-4-9/h1-2,8-9,16H,3-7H2,(H,18,19)
InChIKeyJEXRJDSCXYYTJA-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.66
Rot. Bonds4

About N-(5-chloro-1,3-benzothiazol-4-yl)-2-piperidin-4-yloxyacetamide

N-(5-chloro-1,3-benzothiazol-4-yl)-2-piperidin-4-yloxyacetamide (PubChem CID 63877586) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is N-(5-chloro-1,3-benzothiazol-4-yl)-2-piperidin-4-yloxyacetamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-benzothiazol-4-yl)-2-piperidin-4-yloxyacetamide
PubChem CID63877586
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC NameN-(5-chloro-1,3-benzothiazol-4-yl)-2-piperidin-4-yloxyacetamide
SMILESO=C(COC1CCNCC1)Nc1c(Cl)ccc2scnc12
InChIInChI=1S/C14H16ClN3O2S/c15-10-1-2-11-14(17-8-21-11)13(10)18-12(19)7-20-9-3-5-16-6-4-9/h1-2,8-9,16H,3-7H2,(H,18,19)
InChIKeyJEXRJDSCXYYTJA-UHFFFAOYSA-N
XLogP2.66
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-benzothiazol-4-yl)-2-piperidin-4-yloxyacetamide?
The IUPAC name of N-(5-chloro-1,3-benzothiazol-4-yl)-2-piperidin-4-yloxyacetamide (CID 63877586) is N-(5-chloro-1,3-benzothiazol-4-yl)-2-piperidin-4-yloxyacetamide.
What is the SMILES notation for N-(5-chloro-1,3-benzothiazol-4-yl)-2-piperidin-4-yloxyacetamide?
The canonical SMILES for N-(5-chloro-1,3-benzothiazol-4-yl)-2-piperidin-4-yloxyacetamide is O=C(COC1CCNCC1)Nc1c(Cl)ccc2scnc12.
What is the InChIKey of N-(5-chloro-1,3-benzothiazol-4-yl)-2-piperidin-4-yloxyacetamide?
The InChIKey is JEXRJDSCXYYTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c15-10-1-2-11-14(17-8-21-11)13(10)18-12(19)7-20-9-3-5-16-6-4-9/h1-2,8-9,16H,3-7H2,(H,18,19).
What are the key properties of N-(5-chloro-1,3-benzothiazol-4-yl)-2-piperidin-4-yloxyacetamide?
N-(5-chloro-1,3-benzothiazol-4-yl)-2-piperidin-4-yloxyacetamide has a molecular weight of 325.82 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-benzothiazol-4-yl)-2-piperidin-4-yloxyacetamide is sourced from PubChem (CID 63877586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).