N-(4-acetylphenyl)-2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide

C22H23N3O2S — CID 9389184

IUPACN-(4-acetylphenyl)-2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CN2CCC[C@@H](c3nc4ccccc4s3)C2)cc1
InChIInChI=1S/C22H23N3O2S/c1-15(26)16-8-10-18(11-9-16)23-21(27)14-25-12-4-5-17(13-25)22-24-19-6-2-3-7-20(19)28-22/h2-3,6-11,17H,4-5,12-14H2,1H3,(H,23,27)/t17-/m1/s1
InChIKeyJDRXTVQDNOTJKL-QGZVFWFLSA-N
MW393.51 g/mol
LogP4.32
Rot. Bonds5

About N-(4-acetylphenyl)-2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide

N-(4-acetylphenyl)-2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide (PubChem CID 9389184) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide
PubChem CID9389184
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN-(4-acetylphenyl)-2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CN2CCC[C@@H](c3nc4ccccc4s3)C2)cc1
InChIInChI=1S/C22H23N3O2S/c1-15(26)16-8-10-18(11-9-16)23-21(27)14-25-12-4-5-17(13-25)22-24-19-6-2-3-7-20(19)28-22/h2-3,6-11,17H,4-5,12-14H2,1H3,(H,23,27)/t17-/m1/s1
InChIKeyJDRXTVQDNOTJKL-QGZVFWFLSA-N
XLogP4.32
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 9388719
2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 9389196
2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide
CID 9377990
2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 9389340
N-(3-acetylphenyl)-2-[3-(1,3-benzothiazol-2-yl)azetidin-1-yl]acetamide
CID 71854602
3-[[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetyl]amino]-N-ethylbenzamide
CID 8679962
2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 9388707
2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 9377874
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-[(2S)-5-methylhexan-2-yl]acetamide
CID 8680278
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

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide (CID 9389184) is N-(4-acetylphenyl)-2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide is CC(=O)c1ccc(NC(=O)CN2CCC[C@@H](c3nc4ccccc4s3)C2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide?
The InChIKey is JDRXTVQDNOTJKL-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-15(26)16-8-10-18(11-9-16)23-21(27)14-25-12-4-5-17(13-25)22-24-19-6-2-3-7-20(19)28-22/h2-3,6-11,17H,4-5,12-14H2,1H3,(H,23,27)/t17-/m1/s1.
What are the key properties of N-(4-acetylphenyl)-2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide?
N-(4-acetylphenyl)-2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide has a molecular weight of 393.51 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 9389184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).