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

C21H26N2O4 — CID 121156254

IUPAC1,6-dimethyl-4-[1-(2-phenoxypropanoyl)piperidin-4-yl]oxypyridin-2-one
SMILESCc1cc(OC2CCN(C(=O)C(C)Oc3ccccc3)CC2)cc(=O)n1C
InChIInChI=1S/C21H26N2O4/c1-15-13-19(14-20(24)22(15)3)27-18-9-11-23(12-10-18)21(25)16(2)26-17-7-5-4-6-8-17/h4-8,13-14,16,18H,9-12H2,1-3H3
InChIKeyVTUDMYNQBGQWRO-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.53
Rot. Bonds5

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

1,6-dimethyl-4-[1-(2-phenoxypropanoyl)piperidin-4-yl]oxypyridin-2-one (PubChem CID 121156254) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1,6-dimethyl-4-[1-(2-phenoxypropanoyl)piperidin-4-yl]oxypyridin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-4-[1-(2-phenoxypropanoyl)piperidin-4-yl]oxypyridin-2-one
PubChem CID121156254
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name1,6-dimethyl-4-[1-(2-phenoxypropanoyl)piperidin-4-yl]oxypyridin-2-one
SMILESCc1cc(OC2CCN(C(=O)C(C)Oc3ccccc3)CC2)cc(=O)n1C
InChIInChI=1S/C21H26N2O4/c1-15-13-19(14-20(24)22(15)3)27-18-9-11-23(12-10-18)21(25)16(2)26-17-7-5-4-6-8-17/h4-8,13-14,16,18H,9-12H2,1-3H3
InChIKeyVTUDMYNQBGQWRO-UHFFFAOYSA-N
XLogP2.53
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.53
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-(2-phenylmethoxyacetyl)piperidin-4-yl]oxypyridin-2-one
CID 121182574
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229
2-phenoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)propan-1-one
CID 71798614
1,6-dimethyl-4-[1-(3-phenylsulfanylpropanoyl)piperidin-4-yl]oxypyridin-2-one
CID 121156275
1,6-dimethyl-4-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]oxypyridin-2-one
CID 86265620
4-(1-butanoylpiperidin-4-yl)oxy-1,6-dimethylpyridin-2-one
CID 121156306
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
1,6-dimethyl-4-[1-(2-oxochromene-3-carbonyl)piperidin-4-yl]oxypyridin-2-one
CID 86265656
4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156253
4-[1-[(E)-3-(2-chlorophenyl)prop-2-enoyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156325

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-[1-(2-phenoxypropanoyl)piperidin-4-yl]oxypyridin-2-one?
The IUPAC name of 1,6-dimethyl-4-[1-(2-phenoxypropanoyl)piperidin-4-yl]oxypyridin-2-one (CID 121156254) is 1,6-dimethyl-4-[1-(2-phenoxypropanoyl)piperidin-4-yl]oxypyridin-2-one.
What is the SMILES notation for 1,6-dimethyl-4-[1-(2-phenoxypropanoyl)piperidin-4-yl]oxypyridin-2-one?
The canonical SMILES for 1,6-dimethyl-4-[1-(2-phenoxypropanoyl)piperidin-4-yl]oxypyridin-2-one is Cc1cc(OC2CCN(C(=O)C(C)Oc3ccccc3)CC2)cc(=O)n1C.
What is the InChIKey of 1,6-dimethyl-4-[1-(2-phenoxypropanoyl)piperidin-4-yl]oxypyridin-2-one?
The InChIKey is VTUDMYNQBGQWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15-13-19(14-20(24)22(15)3)27-18-9-11-23(12-10-18)21(25)16(2)26-17-7-5-4-6-8-17/h4-8,13-14,16,18H,9-12H2,1-3H3.
What are the key properties of 1,6-dimethyl-4-[1-(2-phenoxypropanoyl)piperidin-4-yl]oxypyridin-2-one?
1,6-dimethyl-4-[1-(2-phenoxypropanoyl)piperidin-4-yl]oxypyridin-2-one has a molecular weight of 370.45 g/mol, XLogP of 2.53, 5 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-phenoxypropanoyl)piperidin-4-yl]oxypyridin-2-one is sourced from PubChem (CID 121156254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).