1-(4-ethoxyphenyl)-4-hydroxypiperidin-2-one

C13H17NO3 — CID 117014032

IUPAC1-(4-ethoxyphenyl)-4-hydroxypiperidin-2-one
SMILESCCOc1ccc(N2CCC(O)CC2=O)cc1
InChIInChI=1S/C13H17NO3/c1-2-17-12-5-3-10(4-6-12)14-8-7-11(15)9-13(14)16/h3-6,11,15H,2,7-9H2,1H3
InChIKeyXWUUZHBPAAYTKU-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.57
Rot. Bonds3

About 1-(4-ethoxyphenyl)-4-hydroxypiperidin-2-one

1-(4-ethoxyphenyl)-4-hydroxypiperidin-2-one (PubChem CID 117014032) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-4-hydroxypiperidin-2-one.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-4-hydroxypiperidin-2-one
PubChem CID117014032
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name1-(4-ethoxyphenyl)-4-hydroxypiperidin-2-one
SMILESCCOc1ccc(N2CCC(O)CC2=O)cc1
InChIInChI=1S/C13H17NO3/c1-2-17-12-5-3-10(4-6-12)14-8-7-11(15)9-13(14)16/h3-6,11,15H,2,7-9H2,1H3
InChIKeyXWUUZHBPAAYTKU-UHFFFAOYSA-N
XLogP1.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-ethoxyphenyl)-3-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione
CID 755238
1-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 6494501
(3R)-1-(4-ethoxyphenyl)pyrrolidin-3-ol
CID 95732309
1-(4-ethoxyphenyl)-4-methylpiperazine-2,3-dione
CID 117026421
1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717113
1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713785
methyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate
CID 43971090
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 42881962
4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971041
3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-dimethylurea
CID 7545527
(2-acetylphenyl) (3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057365
2-chloro-N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7548875

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-4-hydroxypiperidin-2-one?
The IUPAC name of 1-(4-ethoxyphenyl)-4-hydroxypiperidin-2-one (CID 117014032) is 1-(4-ethoxyphenyl)-4-hydroxypiperidin-2-one.
What is the SMILES notation for 1-(4-ethoxyphenyl)-4-hydroxypiperidin-2-one?
The canonical SMILES for 1-(4-ethoxyphenyl)-4-hydroxypiperidin-2-one is CCOc1ccc(N2CCC(O)CC2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-4-hydroxypiperidin-2-one?
The InChIKey is XWUUZHBPAAYTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-2-17-12-5-3-10(4-6-12)14-8-7-11(15)9-13(14)16/h3-6,11,15H,2,7-9H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-4-hydroxypiperidin-2-one?
1-(4-ethoxyphenyl)-4-hydroxypiperidin-2-one has a molecular weight of 235.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-4-hydroxypiperidin-2-one is sourced from PubChem (CID 117014032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).