4-[1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one

C20H26N2O2 — CID 138387388

IUPAC4-[1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one
SMILESCc1cccc(OCCN2CCC(c3cc[nH]c(=O)c3)CC2)c1C
InChIInChI=1S/C20H26N2O2/c1-15-4-3-5-19(16(15)2)24-13-12-22-10-7-17(8-11-22)18-6-9-21-20(23)14-18/h3-6,9,14,17H,7-8,10-13H2,1-2H3,(H,21,23)
InChIKeyRFPGBDXTCYVMKE-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.25
Rot. Bonds5

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

4-[1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one (PubChem CID 138387388) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-[1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one
PubChem CID138387388
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name4-[1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one
SMILESCc1cccc(OCCN2CCC(c3cc[nH]c(=O)c3)CC2)c1C
InChIInChI=1S/C20H26N2O2/c1-15-4-3-5-19(16(15)2)24-13-12-22-10-7-17(8-11-22)18-6-9-21-20(23)14-18/h3-6,9,14,17H,7-8,10-13H2,1-2H3,(H,21,23)
InChIKeyRFPGBDXTCYVMKE-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-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138384771
4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138379737
4-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one
CID 138377966
4-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138382787
1-[(3R,4R)-1-[2-(2,3-dimethylphenoxy)ethyl]-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134703781
4-[1-[(4-ethoxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138378750
4-[1-[4-(4-tert-butylphenyl)-4-oxobutyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138384851
(3S,8aS)-2-[2-(2,3-dimethylphenoxy)ethyl]-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 165421867
1-[3-(2,3-dimethylphenoxy)propyl]piperidin-3-ol
CID 127029872
1-(2-methoxyethyl)-4-(3-methylphenyl)piperidine
CID 163612835
1-[5-(2,3-dimethylphenoxy)pentyl]piperidine
CID 2057431
1-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]ethanol
CID 103658614

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one (CID 138387388) is 4-[1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one is Cc1cccc(OCCN2CCC(c3cc[nH]c(=O)c3)CC2)c1C.
What is the InChIKey of 4-[1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one?
The InChIKey is RFPGBDXTCYVMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15-4-3-5-19(16(15)2)24-13-12-22-10-7-17(8-11-22)18-6-9-21-20(23)14-18/h3-6,9,14,17H,7-8,10-13H2,1-2H3,(H,21,23).
What are the key properties of 4-[1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one?
4-[1-[2-(2,3-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-(2,3-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 138387388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).