4-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-1-methylpyridin-2-one

C19H21N3OS — CID 138381620

IUPAC4-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-1-methylpyridin-2-one
SMILESCn1ccc(C2CCN(Cc3nc4ccccc4s3)CC2)cc1=O
InChIInChI=1S/C19H21N3OS/c1-21-9-6-15(12-19(21)23)14-7-10-22(11-8-14)13-18-20-16-4-2-3-5-17(16)24-18/h2-6,9,12,14H,7-8,10-11,13H2,1H3
InChIKeyFNWTWJBFBZPITI-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.37
Rot. Bonds3

About 4-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-1-methylpyridin-2-one

4-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-1-methylpyridin-2-one (PubChem CID 138381620) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-1-methylpyridin-2-one
PubChem CID138381620
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name4-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-1-methylpyridin-2-one
SMILESCn1ccc(C2CCN(Cc3nc4ccccc4s3)CC2)cc1=O
InChIInChI=1S/C19H21N3OS/c1-21-9-6-15(12-19(21)23)14-7-10-22(11-8-14)13-18-20-16-4-2-3-5-17(16)24-18/h2-6,9,12,14H,7-8,10-11,13H2,1H3
InChIKeyFNWTWJBFBZPITI-UHFFFAOYSA-N
XLogP3.37
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzothiazol-2-ylmethyl)piperidine-4-carboxylic acid
CID 18526453
1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine
CID 63249392
1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]ethanone
CID 9238411
2-[5-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104601
6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 17453612
2-[(4-bromo-3-methylpiperidin-1-yl)methyl]-1,3-benzothiazole
CID 114682379
1-methyl-4-[1-[(2-propoxyphenyl)methyl]piperidin-4-yl]pyridin-2-one
CID 138385382
2-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-6-cyclopropyl-4-(2-methylpropyl)benzonitrile
CID 171779717
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-cyclopentylmethanone
CID 9238768
2-[(4-pyrazolidin-3-ylpiperidin-1-yl)methyl]-1,3-benzothiazole
CID 52991413
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone
CID 8693532
2-[2-(4-ethylpiperidin-1-yl)ethyl]-1,3-benzothiazole
CID 22989637

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-1-methylpyridin-2-one?
The IUPAC name of 4-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-1-methylpyridin-2-one (CID 138381620) is 4-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-1-methylpyridin-2-one is Cn1ccc(C2CCN(Cc3nc4ccccc4s3)CC2)cc1=O.
What is the InChIKey of 4-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-1-methylpyridin-2-one?
The InChIKey is FNWTWJBFBZPITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-21-9-6-15(12-19(21)23)14-7-10-22(11-8-14)13-18-20-16-4-2-3-5-17(16)24-18/h2-6,9,12,14H,7-8,10-11,13H2,1H3.
What are the key properties of 4-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-1-methylpyridin-2-one?
4-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-1-methylpyridin-2-one has a molecular weight of 339.46 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 138381620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).