1,6-dimethyl-4-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]oxypyridin-2-one

C20H24N2O3 — CID 86265620

IUPAC1,6-dimethyl-4-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]oxypyridin-2-one
SMILESCc1cc(OC2CCN(C(=O)CCc3ccccc3)C2)cc(=O)n1C
InChIInChI=1S/C20H24N2O3/c1-15-12-18(13-20(24)21(15)2)25-17-10-11-22(14-17)19(23)9-8-16-6-4-3-5-7-16/h3-7,12-13,17H,8-11,14H2,1-2H3
InChIKeyVFDBDERTQVHLQS-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.31
Rot. Bonds5

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

1,6-dimethyl-4-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]oxypyridin-2-one (PubChem CID 86265620) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1,6-dimethyl-4-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]oxypyridin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-4-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]oxypyridin-2-one
PubChem CID86265620
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1,6-dimethyl-4-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]oxypyridin-2-one
SMILESCc1cc(OC2CCN(C(=O)CCc3ccccc3)C2)cc(=O)n1C
InChIInChI=1S/C20H24N2O3/c1-15-12-18(13-20(24)21(15)2)25-17-10-11-22(14-17)19(23)9-8-16-6-4-3-5-7-16/h3-7,12-13,17H,8-11,14H2,1-2H3
InChIKeyVFDBDERTQVHLQS-UHFFFAOYSA-N
XLogP2.31
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,6-dimethyl-4-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]oxypyridin-2-one
CID 121182574
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
1,6-dimethyl-4-[1-(2-phenoxyacetyl)piperidin-4-yl]oxypyridin-2-one
CID 121156235
1,6-dimethyl-4-[1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]oxypyridin-2-one
CID 86265637
[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl] acetate
CID 122691367
4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156253
4-[1-[3-(4-bromophenyl)propanoyl]pyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 90628629
1,6-dimethyl-4-[1-(2-phenoxypropanoyl)piperidin-4-yl]oxypyridin-2-one
CID 121156254
4-[1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]pyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one
CID 117054351
4-[1-(1,3-benzothiazole-2-carbonyl)pyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265623
3-(4-methoxyphenyl)-1-(3-phenoxypiperidin-1-yl)propan-1-one
CID 110605422

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]oxypyridin-2-one?
The IUPAC name of 1,6-dimethyl-4-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]oxypyridin-2-one (CID 86265620) is 1,6-dimethyl-4-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]oxypyridin-2-one.
What is the SMILES notation for 1,6-dimethyl-4-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]oxypyridin-2-one?
The canonical SMILES for 1,6-dimethyl-4-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]oxypyridin-2-one is Cc1cc(OC2CCN(C(=O)CCc3ccccc3)C2)cc(=O)n1C.
What is the InChIKey of 1,6-dimethyl-4-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]oxypyridin-2-one?
The InChIKey is VFDBDERTQVHLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15-12-18(13-20(24)21(15)2)25-17-10-11-22(14-17)19(23)9-8-16-6-4-3-5-7-16/h3-7,12-13,17H,8-11,14H2,1-2H3.
What are the key properties of 1,6-dimethyl-4-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]oxypyridin-2-one?
1,6-dimethyl-4-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]oxypyridin-2-one has a molecular weight of 340.42 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]oxypyridin-2-one is sourced from PubChem (CID 86265620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).