2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylbutanamide

C23H27N3OS — CID 42884260

IUPAC2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylbutanamide
SMILESCCC(C(=O)NCc1ccccc1)N1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C23H27N3OS/c1-2-20(22(27)24-16-17-8-4-3-5-9-17)26-14-12-18(13-15-26)23-25-19-10-6-7-11-21(19)28-23/h3-11,18,20H,2,12-16H2,1H3,(H,24,27)
InChIKeyYIZQYXGEGUUISS-UHFFFAOYSA-N
MW393.56 g/mol
LogP4.57
Rot. Bonds6

About 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylbutanamide

2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylbutanamide (PubChem CID 42884260) has the molecular formula C23H27N3OS and a molecular weight of 393.56 g/mol. Its IUPAC name is 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylbutanamide.

Molecular Properties

Compound Name2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylbutanamide
PubChem CID42884260
Molecular FormulaC23H27N3OS
Molecular Weight393.56 g/mol
Exact Mass393.19
IUPAC Name2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylbutanamide
SMILESCCC(C(=O)NCc1ccccc1)N1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C23H27N3OS/c1-2-20(22(27)24-16-17-8-4-3-5-9-17)26-14-12-18(13-15-26)23-25-19-10-6-7-11-21(19)28-23/h3-11,18,20H,2,12-16H2,1H3,(H,24,27)
InChIKeyYIZQYXGEGUUISS-UHFFFAOYSA-N
XLogP4.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-carbamoylpropanamide
CID 9336787
(2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzyl-N-methylpropanamide
CID 9356997
2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylacetamide
CID 9388960
(2S)-2-amino-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butan-1-one
CID 79023936
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-bromobutan-1-one
CID 62854285
2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-benzylacetamide
CID 9033359
N-[(2S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 26010753
N-[[4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]methyl]prop-2-enamide
CID 52730929
2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylacetamide
CID 9134923
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 9337460
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-butylacetamide
CID 31480507
(2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 2563574

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylbutanamide?
The IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylbutanamide (CID 42884260) is 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylbutanamide.
What is the SMILES notation for 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylbutanamide?
The canonical SMILES for 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylbutanamide is CCC(C(=O)NCc1ccccc1)N1CCC(c2nc3ccccc3s2)CC1.
What is the InChIKey of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylbutanamide?
The InChIKey is YIZQYXGEGUUISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3OS/c1-2-20(22(27)24-16-17-8-4-3-5-9-17)26-14-12-18(13-15-26)23-25-19-10-6-7-11-21(19)28-23/h3-11,18,20H,2,12-16H2,1H3,(H,24,27).
What are the key properties of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylbutanamide?
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylbutanamide has a molecular weight of 393.56 g/mol, XLogP of 4.57, 6 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-benzylbutanamide is sourced from PubChem (CID 42884260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).