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

C15H22N2O3 — CID 82193325

IUPAC5-amino-6-(3-ethoxy-4-methoxyphenyl)-1-methylpiperidin-2-one
SMILESCCOc1cc(C2C(N)CCC(=O)N2C)ccc1OC
InChIInChI=1S/C15H22N2O3/c1-4-20-13-9-10(5-7-12(13)19-3)15-11(16)6-8-14(18)17(15)2/h5,7,9,11,15H,4,6,8,16H2,1-3H3
InChIKeyXOPVBBRKGBFPPP-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.71
Rot. Bonds4

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

5-amino-6-(3-ethoxy-4-methoxyphenyl)-1-methylpiperidin-2-one (PubChem CID 82193325) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 5-amino-6-(3-ethoxy-4-methoxyphenyl)-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-amino-6-(3-ethoxy-4-methoxyphenyl)-1-methylpiperidin-2-one
PubChem CID82193325
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name5-amino-6-(3-ethoxy-4-methoxyphenyl)-1-methylpiperidin-2-one
SMILESCCOc1cc(C2C(N)CCC(=O)N2C)ccc1OC
InChIInChI=1S/C15H22N2O3/c1-4-20-13-9-10(5-7-12(13)19-3)15-11(16)6-8-14(18)17(15)2/h5,7,9,11,15H,4,6,8,16H2,1-3H3
InChIKeyXOPVBBRKGBFPPP-UHFFFAOYSA-N
XLogP1.71
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 82193026
5-amino-6-(3-methoxy-4-propan-2-yloxyphenyl)-1-methylpiperidin-2-one
CID 82193322
5-amino-6-(4-ethoxy-3-methoxyphenyl)-1-ethylpiperidin-2-one
CID 82193334
4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-ethylpyrrolidin-2-one
CID 82193039
4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-(2-methylpropyl)pyrrolidin-2-one
CID 82193088
3-butyl-2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazinan-4-one
CID 3727519
2-(3-ethoxy-4-methoxyphenyl)-3-(2-methoxyethyl)-1,3-thiazinan-4-one
CID 3600311
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
4-amino-5-(3,4-dimethoxyphenyl)-1-(3-methoxypropyl)pyrrolidin-2-one
CID 82193192
(3R,4S)-3-(4-ethoxy-3-methoxyphenyl)-1-methylpiperidin-4-amine
CID 70021225
5-amino-1-butan-2-yl-6-(2,5-dimethoxyphenyl)piperidin-2-one
CID 82193380

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3-ethoxy-4-methoxyphenyl)-1-methylpiperidin-2-one?
The IUPAC name of 5-amino-6-(3-ethoxy-4-methoxyphenyl)-1-methylpiperidin-2-one (CID 82193325) is 5-amino-6-(3-ethoxy-4-methoxyphenyl)-1-methylpiperidin-2-one.
What is the SMILES notation for 5-amino-6-(3-ethoxy-4-methoxyphenyl)-1-methylpiperidin-2-one?
The canonical SMILES for 5-amino-6-(3-ethoxy-4-methoxyphenyl)-1-methylpiperidin-2-one is CCOc1cc(C2C(N)CCC(=O)N2C)ccc1OC.
What is the InChIKey of 5-amino-6-(3-ethoxy-4-methoxyphenyl)-1-methylpiperidin-2-one?
The InChIKey is XOPVBBRKGBFPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-20-13-9-10(5-7-12(13)19-3)15-11(16)6-8-14(18)17(15)2/h5,7,9,11,15H,4,6,8,16H2,1-3H3.
What are the key properties of 5-amino-6-(3-ethoxy-4-methoxyphenyl)-1-methylpiperidin-2-one?
5-amino-6-(3-ethoxy-4-methoxyphenyl)-1-methylpiperidin-2-one has a molecular weight of 278.35 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3-ethoxy-4-methoxyphenyl)-1-methylpiperidin-2-one is sourced from PubChem (CID 82193325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).