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

C22H25N3OS — CID 9337460

IUPAC2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)CN1CCC(c2nc3ccccc3s2)CC1)c1ccccc1
InChIInChI=1S/C22H25N3OS/c1-16(17-7-3-2-4-8-17)23-21(26)15-25-13-11-18(12-14-25)22-24-19-9-5-6-10-20(19)27-22/h2-10,16,18H,11-15H2,1H3,(H,23,26)/t16-/m1/s1
InChIKeyDTRNGSJGMNDVQZ-MRXNPFEDSA-N
MW379.53 g/mol
LogP4.35
Rot. Bonds5

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

2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 9337460) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
PubChem CID9337460
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC Name2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)CN1CCC(c2nc3ccccc3s2)CC1)c1ccccc1
InChIInChI=1S/C22H25N3OS/c1-16(17-7-3-2-4-8-17)23-21(26)15-25-13-11-18(12-14-25)22-24-19-9-5-6-10-20(19)27-22/h2-10,16,18H,11-15H2,1H3,(H,23,26)/t16-/m1/s1
InChIKeyDTRNGSJGMNDVQZ-MRXNPFEDSA-N
XLogP4.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 41203572
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 9336826
2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 9033490
2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 9033481
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-butylacetamide
CID 31480507
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2,6-dimethoxyphenyl)acetamide
CID 1429727
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 1429633
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 9337529
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 3670245
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 1437008
2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(2S)-5-methylhexan-2-yl]acetamide
CID 8680278
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 1429688

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide (CID 9337460) is 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide is C[C@@H](NC(=O)CN1CCC(c2nc3ccccc3s2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is DTRNGSJGMNDVQZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-16(17-7-3-2-4-8-17)23-21(26)15-25-13-11-18(12-14-25)22-24-19-9-5-6-10-20(19)27-22/h2-10,16,18H,11-15H2,1H3,(H,23,26)/t16-/m1/s1.
What are the key properties of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide?
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 379.53 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 9337460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).