1,6-dimethyl-4-[1-(3-phenylsulfanylpropanoyl)piperidin-4-yl]oxypyridin-2-one

C21H26N2O3S — CID 121156275

IUPAC1,6-dimethyl-4-[1-(3-phenylsulfanylpropanoyl)piperidin-4-yl]oxypyridin-2-one
SMILESCc1cc(OC2CCN(C(=O)CCSc3ccccc3)CC2)cc(=O)n1C
InChIInChI=1S/C21H26N2O3S/c1-16-14-18(15-21(25)22(16)2)26-17-8-11-23(12-9-17)20(24)10-13-27-19-6-4-3-5-7-19/h3-7,14-15,17H,8-13H2,1-2H3
InChIKeyALCXTLVJRSLUTE-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.25
Rot. Bonds6

About 1,6-dimethyl-4-[1-(3-phenylsulfanylpropanoyl)piperidin-4-yl]oxypyridin-2-one

1,6-dimethyl-4-[1-(3-phenylsulfanylpropanoyl)piperidin-4-yl]oxypyridin-2-one (PubChem CID 121156275) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 1,6-dimethyl-4-[1-(3-phenylsulfanylpropanoyl)piperidin-4-yl]oxypyridin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-4-[1-(3-phenylsulfanylpropanoyl)piperidin-4-yl]oxypyridin-2-one
PubChem CID121156275
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name1,6-dimethyl-4-[1-(3-phenylsulfanylpropanoyl)piperidin-4-yl]oxypyridin-2-one
SMILESCc1cc(OC2CCN(C(=O)CCSc3ccccc3)CC2)cc(=O)n1C
InChIInChI=1S/C21H26N2O3S/c1-16-14-18(15-21(25)22(16)2)26-17-8-11-23(12-9-17)20(24)10-13-27-19-6-4-3-5-7-19/h3-7,14-15,17H,8-13H2,1-2H3
InChIKeyALCXTLVJRSLUTE-UHFFFAOYSA-N
XLogP3.25
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-butanoylpiperidin-4-yl)oxy-1,6-dimethylpyridin-2-one
CID 121156306
1,6-dimethyl-4-[1-(2-phenoxyacetyl)piperidin-4-yl]oxypyridin-2-one
CID 121156235
1,6-dimethyl-4-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]oxypyridin-2-one
CID 121182574
1,6-dimethyl-4-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]oxypyridin-2-one
CID 86265620
1,6-dimethyl-4-[1-(2-phenoxypropanoyl)piperidin-4-yl]oxypyridin-2-one
CID 121156254
3-phenylsulfanyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90617160
4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156253
methyl 1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxylate
CID 19061809
4-[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156264
4-[1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156367
methyl 4-[4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate
CID 121156265
1,6-dimethyl-4-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]oxypyridin-2-one
CID 121156319

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-[1-(3-phenylsulfanylpropanoyl)piperidin-4-yl]oxypyridin-2-one?
The IUPAC name of 1,6-dimethyl-4-[1-(3-phenylsulfanylpropanoyl)piperidin-4-yl]oxypyridin-2-one (CID 121156275) is 1,6-dimethyl-4-[1-(3-phenylsulfanylpropanoyl)piperidin-4-yl]oxypyridin-2-one.
What is the SMILES notation for 1,6-dimethyl-4-[1-(3-phenylsulfanylpropanoyl)piperidin-4-yl]oxypyridin-2-one?
The canonical SMILES for 1,6-dimethyl-4-[1-(3-phenylsulfanylpropanoyl)piperidin-4-yl]oxypyridin-2-one is Cc1cc(OC2CCN(C(=O)CCSc3ccccc3)CC2)cc(=O)n1C.
What is the InChIKey of 1,6-dimethyl-4-[1-(3-phenylsulfanylpropanoyl)piperidin-4-yl]oxypyridin-2-one?
The InChIKey is ALCXTLVJRSLUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-16-14-18(15-21(25)22(16)2)26-17-8-11-23(12-9-17)20(24)10-13-27-19-6-4-3-5-7-19/h3-7,14-15,17H,8-13H2,1-2H3.
What are the key properties of 1,6-dimethyl-4-[1-(3-phenylsulfanylpropanoyl)piperidin-4-yl]oxypyridin-2-one?
1,6-dimethyl-4-[1-(3-phenylsulfanylpropanoyl)piperidin-4-yl]oxypyridin-2-one has a molecular weight of 386.52 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-[1-(3-phenylsulfanylpropanoyl)piperidin-4-yl]oxypyridin-2-one is sourced from PubChem (CID 121156275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).