4-[1-[(4-ethoxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one

C20H26N2O3 — CID 138378750

IUPAC4-[1-[(4-ethoxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
SMILESCCOc1ccc(CN2CCC(c3cc[nH]c(=O)c3)CC2)cc1OC
InChIInChI=1S/C20H26N2O3/c1-3-25-18-5-4-15(12-19(18)24-2)14-22-10-7-16(8-11-22)17-6-9-21-20(23)13-17/h4-6,9,12-13,16H,3,7-8,10-11,14H2,1-2H3,(H,21,23)
InChIKeyDNQPUGXASWCFQD-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.16
Rot. Bonds6

About 4-[1-[(4-ethoxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one

4-[1-[(4-ethoxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one (PubChem CID 138378750) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-[1-[(4-ethoxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[1-[(4-ethoxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
PubChem CID138378750
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name4-[1-[(4-ethoxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
SMILESCCOc1ccc(CN2CCC(c3cc[nH]c(=O)c3)CC2)cc1OC
InChIInChI=1S/C20H26N2O3/c1-3-25-18-5-4-15(12-19(18)24-2)14-22-10-7-16(8-11-22)17-6-9-21-20(23)13-17/h4-6,9,12-13,16H,3,7-8,10-11,14H2,1-2H3,(H,21,23)
InChIKeyDNQPUGXASWCFQD-UHFFFAOYSA-N
XLogP3.16
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138379727
4-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138384381
4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138379737
4-[(3S)-1-[(4-ethoxy-3-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136735331
(3R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpiperazine
CID 96937266
4-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138384771
1-[(4-heptoxy-3-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 54848223
4-[1-[(2,3-difluoro-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138380074
1-[(4-ethoxy-3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 3160476
4-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138378268
3-[4-[(4-ethoxy-3-methoxyphenyl)methyl]piperazin-1-yl]propanenitrile
CID 54856379
(3S)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9146761

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-ethoxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[1-[(4-ethoxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one (CID 138378750) is 4-[1-[(4-ethoxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[1-[(4-ethoxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[1-[(4-ethoxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one is CCOc1ccc(CN2CCC(c3cc[nH]c(=O)c3)CC2)cc1OC.
What is the InChIKey of 4-[1-[(4-ethoxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one?
The InChIKey is DNQPUGXASWCFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-3-25-18-5-4-15(12-19(18)24-2)14-22-10-7-16(8-11-22)17-6-9-21-20(23)13-17/h4-6,9,12-13,16H,3,7-8,10-11,14H2,1-2H3,(H,21,23).
What are the key properties of 4-[1-[(4-ethoxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one?
4-[1-[(4-ethoxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one has a molecular weight of 342.44 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-ethoxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 138378750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).