3-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]piperidin-2-one

C14H20N2O4 — CID 62093570

IUPAC3-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]piperidin-2-one
SMILESCOc1cc(CNC2CCCNC2=O)cc(OC)c1O
InChIInChI=1S/C14H20N2O4/c1-19-11-6-9(7-12(20-2)13(11)17)8-16-10-4-3-5-15-14(10)18/h6-7,10,16-17H,3-5,8H2,1-2H3,(H,15,18)
InChIKeyZAKHYABJPAXAAD-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.78
Rot. Bonds5

About 3-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]piperidin-2-one

3-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]piperidin-2-one (PubChem CID 62093570) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name3-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]piperidin-2-one
PubChem CID62093570
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name3-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]piperidin-2-one
SMILESCOc1cc(CNC2CCCNC2=O)cc(OC)c1O
InChIInChI=1S/C14H20N2O4/c1-19-11-6-9(7-12(20-2)13(11)17)8-16-10-4-3-5-15-14(10)18/h6-7,10,16-17H,3-5,8H2,1-2H3,(H,15,18)
InChIKeyZAKHYABJPAXAAD-UHFFFAOYSA-N
XLogP0.78
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,4,5-trimethoxyphenyl)methylamino]piperidin-2-one
CID 62093386
3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one
CID 62093209
3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]piperidin-2-one
CID 62094486
3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]piperidin-2-one
CID 62092846
3-[(3-ethoxy-4-hydroxyphenyl)methylamino]piperidin-2-one
CID 62092103
3-[(3,5-difluoro-4-hydroxyphenyl)methylamino]azepan-2-one
CID 79831658
3-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]azepan-2-one;hydrochloride
CID 56797284
3-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]azepan-2-one;hydrochloride
CID 56814243
3-[(2,5-dimethoxyphenyl)methylamino]piperidin-2-one
CID 55033823
3-[(3-fluoro-4-methoxyphenyl)methylamino]azepan-2-one
CID 60763102
(3R)-3-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]azepan-2-one
CID 1059014
3-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]azepan-2-one
CID 3938018

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]piperidin-2-one?
The IUPAC name of 3-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]piperidin-2-one (CID 62093570) is 3-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]piperidin-2-one.
What is the SMILES notation for 3-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]piperidin-2-one?
The canonical SMILES for 3-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]piperidin-2-one is COc1cc(CNC2CCCNC2=O)cc(OC)c1O.
What is the InChIKey of 3-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]piperidin-2-one?
The InChIKey is ZAKHYABJPAXAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-19-11-6-9(7-12(20-2)13(11)17)8-16-10-4-3-5-15-14(10)18/h6-7,10,16-17H,3-5,8H2,1-2H3,(H,15,18).
What are the key properties of 3-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]piperidin-2-one?
3-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]piperidin-2-one has a molecular weight of 280.32 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]piperidin-2-one is sourced from PubChem (CID 62093570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).