3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one

C14H20N2O3 — CID 62093209

IUPAC3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one
SMILESCOc1cc(CNC2CCCNC2=O)cc(OC)c1
InChIInChI=1S/C14H20N2O3/c1-18-11-6-10(7-12(8-11)19-2)9-16-13-4-3-5-15-14(13)17/h6-8,13,16H,3-5,9H2,1-2H3,(H,15,17)
InChIKeyLIJSBFPSCRWEEX-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.07
Rot. Bonds5

About 3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one

3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one (PubChem CID 62093209) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one
PubChem CID62093209
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one
SMILESCOc1cc(CNC2CCCNC2=O)cc(OC)c1
InChIInChI=1S/C14H20N2O3/c1-18-11-6-10(7-12(8-11)19-2)9-16-13-4-3-5-15-14(13)17/h6-8,13,16H,3-5,9H2,1-2H3,(H,15,17)
InChIKeyLIJSBFPSCRWEEX-UHFFFAOYSA-N
XLogP1.07
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one?
The IUPAC name of 3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one (CID 62093209) is 3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one.
What is the SMILES notation for 3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one?
The canonical SMILES for 3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one is COc1cc(CNC2CCCNC2=O)cc(OC)c1.
What is the InChIKey of 3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one?
The InChIKey is LIJSBFPSCRWEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-11-6-10(7-12(8-11)19-2)9-16-13-4-3-5-15-14(13)17/h6-8,13,16H,3-5,9H2,1-2H3,(H,15,17).
What are the key properties of 3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one?
3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one has a molecular weight of 264.32 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one is sourced from PubChem (CID 62093209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).