5-amino-6-(4-ethoxy-3-methoxyphenyl)-1-ethylpiperidin-2-one

C16H24N2O3 — CID 82193334

IUPAC5-amino-6-(4-ethoxy-3-methoxyphenyl)-1-ethylpiperidin-2-one
SMILESCCOc1ccc(C2C(N)CCC(=O)N2CC)cc1OC
InChIInChI=1S/C16H24N2O3/c1-4-18-15(19)9-7-12(17)16(18)11-6-8-13(21-5-2)14(10-11)20-3/h6,8,10,12,16H,4-5,7,9,17H2,1-3H3
InChIKeyLRLAZUMCZWLAKS-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.10
Rot. Bonds5

About 5-amino-6-(4-ethoxy-3-methoxyphenyl)-1-ethylpiperidin-2-one

5-amino-6-(4-ethoxy-3-methoxyphenyl)-1-ethylpiperidin-2-one (PubChem CID 82193334) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-amino-6-(4-ethoxy-3-methoxyphenyl)-1-ethylpiperidin-2-one.

Molecular Properties

Compound Name5-amino-6-(4-ethoxy-3-methoxyphenyl)-1-ethylpiperidin-2-one
PubChem CID82193334
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name5-amino-6-(4-ethoxy-3-methoxyphenyl)-1-ethylpiperidin-2-one
SMILESCCOc1ccc(C2C(N)CCC(=O)N2CC)cc1OC
InChIInChI=1S/C16H24N2O3/c1-4-18-15(19)9-7-12(17)16(18)11-6-8-13(21-5-2)14(10-11)20-3/h6,8,10,12,16H,4-5,7,9,17H2,1-3H3
InChIKeyLRLAZUMCZWLAKS-UHFFFAOYSA-N
XLogP2.10
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-ethylpyrrolidin-2-one
CID 82193039
5-amino-6-(3-ethoxy-4-methoxyphenyl)-1-methylpiperidin-2-one
CID 82193325
4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-(2-methylpropyl)pyrrolidin-2-one
CID 82193088
4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 82193026
5-amino-6-(3-cyclopropylphenyl)-1-ethylpiperidin-2-one
CID 79978123
5-amino-6-(4-bromo-3-fluorophenyl)-1-ethylpiperidin-2-one
CID 81441259
5-amino-6-(3-methoxy-4-propan-2-yloxyphenyl)-1-methylpiperidin-2-one
CID 82193322
5-amino-6-(2-chloro-6-methoxyphenyl)-1-ethylpiperidin-2-one
CID 104818739
4-amino-5-(3-methoxy-4-propoxyphenyl)-1-propylpyrrolidin-2-one
CID 82193078
4-amino-5-(3-methoxy-4-propoxyphenyl)-1-propan-2-ylpyrrolidin-2-one
CID 82193066
(3R,4S)-3-(4-ethoxy-3-methoxyphenyl)-1-methylpiperidin-4-amine
CID 70021225
(2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid
CID 16765282

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(4-ethoxy-3-methoxyphenyl)-1-ethylpiperidin-2-one?
The IUPAC name of 5-amino-6-(4-ethoxy-3-methoxyphenyl)-1-ethylpiperidin-2-one (CID 82193334) is 5-amino-6-(4-ethoxy-3-methoxyphenyl)-1-ethylpiperidin-2-one.
What is the SMILES notation for 5-amino-6-(4-ethoxy-3-methoxyphenyl)-1-ethylpiperidin-2-one?
The canonical SMILES for 5-amino-6-(4-ethoxy-3-methoxyphenyl)-1-ethylpiperidin-2-one is CCOc1ccc(C2C(N)CCC(=O)N2CC)cc1OC.
What is the InChIKey of 5-amino-6-(4-ethoxy-3-methoxyphenyl)-1-ethylpiperidin-2-one?
The InChIKey is LRLAZUMCZWLAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-18-15(19)9-7-12(17)16(18)11-6-8-13(21-5-2)14(10-11)20-3/h6,8,10,12,16H,4-5,7,9,17H2,1-3H3.
What are the key properties of 5-amino-6-(4-ethoxy-3-methoxyphenyl)-1-ethylpiperidin-2-one?
5-amino-6-(4-ethoxy-3-methoxyphenyl)-1-ethylpiperidin-2-one has a molecular weight of 292.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(4-ethoxy-3-methoxyphenyl)-1-ethylpiperidin-2-one is sourced from PubChem (CID 82193334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).