4-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1H-pyridin-2-one

C20H24N2O4 — CID 138379727

IUPAC4-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1H-pyridin-2-one
SMILESCOc1ccc(CC(=O)N2CCC(c3cc[nH]c(=O)c3)CC2)cc1OC
InChIInChI=1S/C20H24N2O4/c1-25-17-4-3-14(11-18(17)26-2)12-20(24)22-9-6-15(7-10-22)16-5-8-21-19(23)13-16/h3-5,8,11,13,15H,6-7,9-10,12H2,1-2H3,(H,21,23)
InChIKeyTXCMQNNGIPCDHL-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.34
Rot. Bonds5

About 4-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1H-pyridin-2-one

4-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1H-pyridin-2-one (PubChem CID 138379727) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 4-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1H-pyridin-2-one
PubChem CID138379727
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name4-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1H-pyridin-2-one
SMILESCOc1ccc(CC(=O)N2CCC(c3cc[nH]c(=O)c3)CC2)cc1OC
InChIInChI=1S/C20H24N2O4/c1-25-17-4-3-14(11-18(17)26-2)12-20(24)22-9-6-15(7-10-22)16-5-8-21-19(23)13-16/h3-5,8,11,13,15H,6-7,9-10,12H2,1-2H3,(H,21,23)
InChIKeyTXCMQNNGIPCDHL-UHFFFAOYSA-N
XLogP2.34
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(4-ethoxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138378750
1-[2-(3,4-dimethoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 46420365
2-(3,4-dimethoxyphenyl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087404
2-(3,4-dimethoxyphenyl)-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087627
2-(3,4-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110289792
1-(3-bromo-4-methylpiperidin-1-yl)-2-(3,4-dimethoxyphenyl)ethanone
CID 102962225
2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone chloride
CID 53346891
1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 154787522
2-(3,4-dimethoxyphenyl)-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone
CID 90589610
4-[1-[2-[cyclopentyl(methyl)amino]acetyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138379684
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]ethanesulfonamide
CID 108567341
1-[4-[2-(3,4-dimethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone
CID 108544494

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1H-pyridin-2-one (CID 138379727) is 4-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1H-pyridin-2-one is COc1ccc(CC(=O)N2CCC(c3cc[nH]c(=O)c3)CC2)cc1OC.
What is the InChIKey of 4-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1H-pyridin-2-one?
The InChIKey is TXCMQNNGIPCDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-25-17-4-3-14(11-18(17)26-2)12-20(24)22-9-6-15(7-10-22)16-5-8-21-19(23)13-16/h3-5,8,11,13,15H,6-7,9-10,12H2,1-2H3,(H,21,23).
What are the key properties of 4-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1H-pyridin-2-one?
4-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1H-pyridin-2-one has a molecular weight of 356.42 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 138379727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).