3-[(3-ethoxy-4-hydroxyphenyl)methylamino]piperidin-2-one

C14H20N2O3 — CID 62092103

IUPAC3-[(3-ethoxy-4-hydroxyphenyl)methylamino]piperidin-2-one
SMILESCCOc1cc(CNC2CCCNC2=O)ccc1O
InChIInChI=1S/C14H20N2O3/c1-2-19-13-8-10(5-6-12(13)17)9-16-11-4-3-7-15-14(11)18/h5-6,8,11,16-17H,2-4,7,9H2,1H3,(H,15,18)
InChIKeyFBDGXIHZILBMLQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.16
Rot. Bonds5

About 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]piperidin-2-one

3-[(3-ethoxy-4-hydroxyphenyl)methylamino]piperidin-2-one (PubChem CID 62092103) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name3-[(3-ethoxy-4-hydroxyphenyl)methylamino]piperidin-2-one
PubChem CID62092103
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[(3-ethoxy-4-hydroxyphenyl)methylamino]piperidin-2-one
SMILESCCOc1cc(CNC2CCCNC2=O)ccc1O
InChIInChI=1S/C14H20N2O3/c1-2-19-13-8-10(5-6-12(13)17)9-16-11-4-3-7-15-14(11)18/h5-6,8,11,16-17H,2-4,7,9H2,1H3,(H,15,18)
InChIKeyFBDGXIHZILBMLQ-UHFFFAOYSA-N
XLogP1.16
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]piperidin-2-one?
The IUPAC name of 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]piperidin-2-one (CID 62092103) is 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]piperidin-2-one.
What is the SMILES notation for 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]piperidin-2-one?
The canonical SMILES for 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]piperidin-2-one is CCOc1cc(CNC2CCCNC2=O)ccc1O.
What is the InChIKey of 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]piperidin-2-one?
The InChIKey is FBDGXIHZILBMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-19-13-8-10(5-6-12(13)17)9-16-11-4-3-7-15-14(11)18/h5-6,8,11,16-17H,2-4,7,9H2,1H3,(H,15,18).
What are the key properties of 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]piperidin-2-one?
3-[(3-ethoxy-4-hydroxyphenyl)methylamino]piperidin-2-one has a molecular weight of 264.32 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]piperidin-2-one is sourced from PubChem (CID 62092103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).