4-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one

C20H26N2O2 — CID 138384771

IUPAC4-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one
SMILESCc1ccc(OCCN2CCC(c3cc[nH]c(=O)c3)CC2)c(C)c1
InChIInChI=1S/C20H26N2O2/c1-15-3-4-19(16(2)13-15)24-12-11-22-9-6-17(7-10-22)18-5-8-21-20(23)14-18/h3-5,8,13-14,17H,6-7,9-12H2,1-2H3,(H,21,23)
InChIKeyKLPBYKXWXKTPRP-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.25
Rot. Bonds5

About 4-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one

4-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one (PubChem CID 138384771) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one
PubChem CID138384771
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name4-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one
SMILESCc1ccc(OCCN2CCC(c3cc[nH]c(=O)c3)CC2)c(C)c1
InChIInChI=1S/C20H26N2O2/c1-15-3-4-19(16(2)13-15)24-12-11-22-9-6-17(7-10-22)18-5-8-21-20(23)14-18/h3-5,8,13-14,17H,6-7,9-12H2,1-2H3,(H,21,23)
InChIKeyKLPBYKXWXKTPRP-UHFFFAOYSA-N
XLogP3.25
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138387388
1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-amine
CID 28802683
4-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138384381
1-[2-(2,4-dimethylphenoxy)ethyl]piperidine-4-carbonitrile
CID 39359832
4-[1-[(2,3-difluoro-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138380074
4-[1-[(4-ethoxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138378750
(R)-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 124751770
1-[2-[2-(2,4-dimethylphenoxy)ethoxy]ethyl]pyrrolidine
CID 3870944
4-[1-[4-(4-tert-butylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138384851
4-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one
CID 138377966
(3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one
CID 73387814
1-(2-methoxyethyl)-4-(3-methylphenyl)piperidine
CID 163612835

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one (CID 138384771) is 4-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one is Cc1ccc(OCCN2CCC(c3cc[nH]c(=O)c3)CC2)c(C)c1.
What is the InChIKey of 4-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one?
The InChIKey is KLPBYKXWXKTPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15-3-4-19(16(2)13-15)24-12-11-22-9-6-17(7-10-22)18-5-8-21-20(23)14-18/h3-5,8,13-14,17H,6-7,9-12H2,1-2H3,(H,21,23).
What are the key properties of 4-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one?
4-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one has a molecular weight of 326.44 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 138384771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).