4-[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one

C20H21N3O3S — CID 121156264

IUPAC4-[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(OC2CCN(C(=O)c3nc4ccccc4s3)CC2)cc(=O)n1C
InChIInChI=1S/C20H21N3O3S/c1-13-11-15(12-18(24)22(13)2)26-14-7-9-23(10-8-14)20(25)19-21-16-5-3-4-6-17(16)27-19/h3-6,11-12,14H,7-10H2,1-2H3
InChIKeyMKDNBQZQJUEFNM-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.99
Rot. Bonds3

About 4-[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one

4-[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one (PubChem CID 121156264) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 4-[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name4-[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
PubChem CID121156264
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name4-[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(OC2CCN(C(=O)c3nc4ccccc4s3)CC2)cc(=O)n1C
InChIInChI=1S/C20H21N3O3S/c1-13-11-15(12-18(24)22(13)2)26-14-7-9-23(10-8-14)20(25)19-21-16-5-3-4-6-17(16)27-19/h3-6,11-12,14H,7-10H2,1-2H3
InChIKeyMKDNBQZQJUEFNM-UHFFFAOYSA-N
XLogP2.99
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(1,3-benzothiazole-2-carbonyl)pyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265623
1,3-benzothiazol-2-yl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617145
1,6-dimethyl-4-[1-(2-phenoxyacetyl)piperidin-4-yl]oxypyridin-2-one
CID 121156235
1,6-dimethyl-4-[1-(2-oxochromene-3-carbonyl)piperidin-4-yl]oxypyridin-2-one
CID 86265656
1,6-dimethyl-4-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]oxypyridin-2-one
CID 121182574
methyl 4-[4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate
CID 121156265
1,6-dimethyl-4-[1-(2-phenoxypropanoyl)piperidin-4-yl]oxypyridin-2-one
CID 121156254
1,6-dimethyl-4-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]oxypyridin-2-one
CID 121156319
1,6-dimethyl-4-[1-(3-phenylsulfanylpropanoyl)piperidin-4-yl]oxypyridin-2-one
CID 121156275
4-(1-butanoylpiperidin-4-yl)oxy-1,6-dimethylpyridin-2-one
CID 121156306
4-[1-[(E)-3-(2-chlorophenyl)prop-2-enoyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156325
4-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265657

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
The IUPAC name of 4-[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one (CID 121156264) is 4-[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 4-[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
The canonical SMILES for 4-[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one is Cc1cc(OC2CCN(C(=O)c3nc4ccccc4s3)CC2)cc(=O)n1C.
What is the InChIKey of 4-[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
The InChIKey is MKDNBQZQJUEFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-13-11-15(12-18(24)22(13)2)26-14-7-9-23(10-8-14)20(25)19-21-16-5-3-4-6-17(16)27-19/h3-6,11-12,14H,7-10H2,1-2H3.
What are the key properties of 4-[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
4-[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one has a molecular weight of 383.47 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 121156264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).