5-amino-6-(2-chloro-6-methoxyphenyl)-1-ethylpiperidin-2-one

C14H19ClN2O2 — CID 104818739

IUPAC5-amino-6-(2-chloro-6-methoxyphenyl)-1-ethylpiperidin-2-one
SMILESCCN1C(=O)CCC(N)C1c1c(Cl)cccc1OC
InChIInChI=1S/C14H19ClN2O2/c1-3-17-12(18)8-7-10(16)14(17)13-9(15)5-4-6-11(13)19-2/h4-6,10,14H,3,7-8,16H2,1-2H3
InChIKeyUPGOHGMFTQXITR-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.36
Rot. Bonds3

About 5-amino-6-(2-chloro-6-methoxyphenyl)-1-ethylpiperidin-2-one

5-amino-6-(2-chloro-6-methoxyphenyl)-1-ethylpiperidin-2-one (PubChem CID 104818739) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 5-amino-6-(2-chloro-6-methoxyphenyl)-1-ethylpiperidin-2-one.

Molecular Properties

Compound Name5-amino-6-(2-chloro-6-methoxyphenyl)-1-ethylpiperidin-2-one
PubChem CID104818739
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name5-amino-6-(2-chloro-6-methoxyphenyl)-1-ethylpiperidin-2-one
SMILESCCN1C(=O)CCC(N)C1c1c(Cl)cccc1OC
InChIInChI=1S/C14H19ClN2O2/c1-3-17-12(18)8-7-10(16)14(17)13-9(15)5-4-6-11(13)19-2/h4-6,10,14H,3,7-8,16H2,1-2H3
InChIKeyUPGOHGMFTQXITR-UHFFFAOYSA-N
XLogP2.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-6-(2-chloro-6-methoxyphenyl)-1-propylpiperidin-2-one
CID 104818740
6-amino-7-(2-chloro-6-methoxyphenyl)-1-methylazepan-2-one
CID 104818738
5-amino-6-(4-ethoxy-3-methoxyphenyl)-1-ethylpiperidin-2-one
CID 82193334
5-amino-6-(3-cyclopropylphenyl)-1-ethylpiperidin-2-one
CID 79978123
2-(2-chloro-6-methoxyphenyl)-1-cyclopropylpyrrolidin-3-amine
CID 113456591
5-amino-1-butyl-6-(2-methoxyphenyl)piperidin-2-one
CID 82193413
2-(2-chloro-6-methoxyphenyl)cyclopropan-1-amine
CID 104817620
1-[2-(2-chloro-6-methoxyphenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
CID 104818684
[2-(2-chloro-6-methoxyphenyl)-1-propylazepan-3-yl]methanamine
CID 104818727
(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 110086952
5-amino-1-ethyl-6-methylpiperidin-2-one
CID 83682095
(2S,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid
CID 51982847

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-chloro-6-methoxyphenyl)-1-ethylpiperidin-2-one?
The IUPAC name of 5-amino-6-(2-chloro-6-methoxyphenyl)-1-ethylpiperidin-2-one (CID 104818739) is 5-amino-6-(2-chloro-6-methoxyphenyl)-1-ethylpiperidin-2-one.
What is the SMILES notation for 5-amino-6-(2-chloro-6-methoxyphenyl)-1-ethylpiperidin-2-one?
The canonical SMILES for 5-amino-6-(2-chloro-6-methoxyphenyl)-1-ethylpiperidin-2-one is CCN1C(=O)CCC(N)C1c1c(Cl)cccc1OC.
What is the InChIKey of 5-amino-6-(2-chloro-6-methoxyphenyl)-1-ethylpiperidin-2-one?
The InChIKey is UPGOHGMFTQXITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-3-17-12(18)8-7-10(16)14(17)13-9(15)5-4-6-11(13)19-2/h4-6,10,14H,3,7-8,16H2,1-2H3.
What are the key properties of 5-amino-6-(2-chloro-6-methoxyphenyl)-1-ethylpiperidin-2-one?
5-amino-6-(2-chloro-6-methoxyphenyl)-1-ethylpiperidin-2-one has a molecular weight of 282.77 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-chloro-6-methoxyphenyl)-1-ethylpiperidin-2-one is sourced from PubChem (CID 104818739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).