2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-phenoxyethyl)acetamide

C22H25N3O2S — CID 17437438

IUPAC2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-phenoxyethyl)acetamide
SMILESO=C(CN1CCCC(c2nc3ccccc3s2)C1)NCCOc1ccccc1
InChIInChI=1S/C22H25N3O2S/c26-21(23-12-14-27-18-8-2-1-3-9-18)16-25-13-6-7-17(15-25)22-24-19-10-4-5-11-20(19)28-22/h1-5,8-11,17H,6-7,12-16H2,(H,23,26)
InChIKeyLSUJQLJPXWTJRZ-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.67
Rot. Bonds7

About 2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-phenoxyethyl)acetamide

2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-phenoxyethyl)acetamide (PubChem CID 17437438) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is 2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-phenoxyethyl)acetamide
PubChem CID17437438
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-phenoxyethyl)acetamide
SMILESO=C(CN1CCCC(c2nc3ccccc3s2)C1)NCCOc1ccccc1
InChIInChI=1S/C22H25N3O2S/c26-21(23-12-14-27-18-8-2-1-3-9-18)16-25-13-6-7-17(15-25)22-24-19-10-4-5-11-20(19)28-22/h1-5,8-11,17H,6-7,12-16H2,(H,23,26)
InChIKeyLSUJQLJPXWTJRZ-UHFFFAOYSA-N
XLogP3.67
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3-methylbutyl)acetamide
CID 9389521
2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylacetamide
CID 9388960
2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 9389196
2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 8679950
1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 40804818
2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(2S)-5-methylhexan-2-yl]acetamide
CID 8680278
2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 9388195
2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 40700639
2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 9388719
2-(3-aminopiperidin-1-yl)-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 119910163
2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
CID 124787727
2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 9389557

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-phenoxyethyl)acetamide (CID 17437438) is 2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-phenoxyethyl)acetamide is O=C(CN1CCCC(c2nc3ccccc3s2)C1)NCCOc1ccccc1.
What is the InChIKey of 2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-phenoxyethyl)acetamide?
The InChIKey is LSUJQLJPXWTJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c26-21(23-12-14-27-18-8-2-1-3-9-18)16-25-13-6-7-17(15-25)22-24-19-10-4-5-11-20(19)28-22/h1-5,8-11,17H,6-7,12-16H2,(H,23,26).
What are the key properties of 2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-phenoxyethyl)acetamide?
2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-phenoxyethyl)acetamide has a molecular weight of 395.53 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 17437438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).