5-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]piperidin-2-one

C14H20N2O3 — CID 63663146

IUPAC5-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]piperidin-2-one
SMILESCOc1ccc(C(C)NC2CCC(=O)NC2)c(O)c1
InChIInChI=1S/C14H20N2O3/c1-9(16-10-3-6-14(18)15-8-10)12-5-4-11(19-2)7-13(12)17/h4-5,7,9-10,16-17H,3,6,8H2,1-2H3,(H,15,18)
InChIKeyAPFQRAGQQSMCNW-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.33
Rot. Bonds4

About 5-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]piperidin-2-one

5-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]piperidin-2-one (PubChem CID 63663146) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]piperidin-2-one.

Molecular Properties

Compound Name5-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]piperidin-2-one
PubChem CID63663146
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name5-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]piperidin-2-one
SMILESCOc1ccc(C(C)NC2CCC(=O)NC2)c(O)c1
InChIInChI=1S/C14H20N2O3/c1-9(16-10-3-6-14(18)15-8-10)12-5-4-11(19-2)7-13(12)17/h4-5,7,9-10,16-17H,3,6,8H2,1-2H3,(H,15,18)
InChIKeyAPFQRAGQQSMCNW-UHFFFAOYSA-N
XLogP1.33
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 5-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]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

Related Compounds

2-[1-(cycloheptylamino)ethyl]-5-methoxyphenol
CID 43202473
5-methoxy-2-[1-[(3-methoxycyclopentyl)amino]ethyl]phenol
CID 103082952
5-[1-(2-methoxy-5-methylphenyl)ethylamino]piperidin-2-one
CID 63663695
5-methoxy-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol
CID 43206678
2-[1-[(2-hydroxycyclohexyl)amino]ethyl]-5-methoxyphenol
CID 55064076
5-methoxy-2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]phenol
CID 79357914
5-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-2-one
CID 55246437
5-[1-(3-fluorophenyl)ethylamino]piperidin-2-one
CID 55246811
5-[(2-fluoro-4-methoxyphenyl)methylamino]piperidin-2-one
CID 102876412
2-[1-[(1,1-dioxothiolan-3-yl)amino]ethyl]-4-methoxyphenol
CID 43190984
2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]-5-methoxyphenol
CID 104582308
2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]-5-methoxyphenol
CID 83007109

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]piperidin-2-one?
The IUPAC name of 5-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]piperidin-2-one (CID 63663146) is 5-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]piperidin-2-one.
What is the SMILES notation for 5-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]piperidin-2-one?
The canonical SMILES for 5-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]piperidin-2-one is COc1ccc(C(C)NC2CCC(=O)NC2)c(O)c1.
What is the InChIKey of 5-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]piperidin-2-one?
The InChIKey is APFQRAGQQSMCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(16-10-3-6-14(18)15-8-10)12-5-4-11(19-2)7-13(12)17/h4-5,7,9-10,16-17H,3,6,8H2,1-2H3,(H,15,18).
What are the key properties of 5-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]piperidin-2-one?
5-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]piperidin-2-one has a molecular weight of 264.32 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]piperidin-2-one is sourced from PubChem (CID 63663146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).