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

C21H26N2O4 — CID 121182574

IUPAC1,6-dimethyl-4-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]oxypyridin-2-one
SMILESCc1cc(OC2CCN(C(=O)COCc3ccccc3)CC2)cc(=O)n1C
InChIInChI=1S/C21H26N2O4/c1-16-12-19(13-20(24)22(16)2)27-18-8-10-23(11-9-18)21(25)15-26-14-17-6-4-3-5-7-17/h3-7,12-13,18H,8-11,14-15H2,1-2H3
InChIKeyQGYWYYBWOKLPJU-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.28
Rot. Bonds6

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

1,6-dimethyl-4-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]oxypyridin-2-one (PubChem CID 121182574) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1,6-dimethyl-4-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]oxypyridin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-4-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]oxypyridin-2-one
PubChem CID121182574
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name1,6-dimethyl-4-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]oxypyridin-2-one
SMILESCc1cc(OC2CCN(C(=O)COCc3ccccc3)CC2)cc(=O)n1C
InChIInChI=1S/C21H26N2O4/c1-16-12-19(13-20(24)22(16)2)27-18-8-10-23(11-9-18)21(25)15-26-14-17-6-4-3-5-7-17/h3-7,12-13,18H,8-11,14-15H2,1-2H3
InChIKeyQGYWYYBWOKLPJU-UHFFFAOYSA-N
XLogP2.28
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,6-dimethyl-4-[1-(2-phenoxyacetyl)piperidin-4-yl]oxypyridin-2-one
CID 121156235
1,6-dimethyl-4-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]oxypyridin-2-one
CID 86265620
1,6-dimethyl-4-[1-(3-phenylsulfanylpropanoyl)piperidin-4-yl]oxypyridin-2-one
CID 121156275
4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156253
4-(1-butanoylpiperidin-4-yl)oxy-1,6-dimethylpyridin-2-one
CID 121156306
1,6-dimethyl-4-[1-(2-phenoxypropanoyl)piperidin-4-yl]oxypyridin-2-one
CID 121156254
4-[1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156367
1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone
CID 43416001
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylmethoxyethanone
CID 82016141
2-ethoxy-1-(4-phenoxypiperidin-1-yl)ethanone
CID 61381248
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-2-phenylmethoxyethanone
CID 121017591
4-[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156264

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]oxypyridin-2-one?
The IUPAC name of 1,6-dimethyl-4-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]oxypyridin-2-one (CID 121182574) is 1,6-dimethyl-4-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]oxypyridin-2-one.
What is the SMILES notation for 1,6-dimethyl-4-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]oxypyridin-2-one?
The canonical SMILES for 1,6-dimethyl-4-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]oxypyridin-2-one is Cc1cc(OC2CCN(C(=O)COCc3ccccc3)CC2)cc(=O)n1C.
What is the InChIKey of 1,6-dimethyl-4-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]oxypyridin-2-one?
The InChIKey is QGYWYYBWOKLPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-16-12-19(13-20(24)22(16)2)27-18-8-10-23(11-9-18)21(25)15-26-14-17-6-4-3-5-7-17/h3-7,12-13,18H,8-11,14-15H2,1-2H3.
What are the key properties of 1,6-dimethyl-4-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]oxypyridin-2-one?
1,6-dimethyl-4-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]oxypyridin-2-one has a molecular weight of 370.45 g/mol, XLogP of 2.28, 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-(2-phenylmethoxyacetyl)piperidin-4-yl]oxypyridin-2-one is sourced from PubChem (CID 121182574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).