2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-hydroxyphenyl)acetamide

C23H30N2O4 — CID 73149093

IUPAC2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-hydroxyphenyl)acetamide
SMILESCCC1CN(Cc2ccc(OC)cc2O)CCC1CC(=O)Nc1cccc(O)c1
InChIInChI=1S/C23H30N2O4/c1-3-16-14-25(15-18-7-8-21(29-2)13-22(18)27)10-9-17(16)11-23(28)24-19-5-4-6-20(26)12-19/h4-8,12-13,16-17,26-27H,3,9-11,14-15H2,1-2H3,(H,24,28)
InChIKeyLGIFMZIWXOSJIE-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.98
Rot. Bonds7

About 2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-hydroxyphenyl)acetamide

2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-hydroxyphenyl)acetamide (PubChem CID 73149093) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-hydroxyphenyl)acetamide
PubChem CID73149093
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-hydroxyphenyl)acetamide
SMILESCCC1CN(Cc2ccc(OC)cc2O)CCC1CC(=O)Nc1cccc(O)c1
InChIInChI=1S/C23H30N2O4/c1-3-16-14-25(15-18-7-8-21(29-2)13-22(18)27)10-9-17(16)11-23(28)24-19-5-4-6-20(26)12-19/h4-8,12-13,16-17,26-27H,3,9-11,14-15H2,1-2H3,(H,24,28)
InChIKeyLGIFMZIWXOSJIE-UHFFFAOYSA-N
XLogP3.98
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-4-[2-(3-hydroxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 163176741
2-[(3S,4S)-3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)acetamide
CID 163139330
2-[(3S,4S)-3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 163177193
1-[2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]piperidine-4-carboxamide
CID 73149300
5-methoxy-2-[(3-propylpyrrolidin-1-yl)methyl]phenol
CID 112548941
(3R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 103882000
2-[(3-aminopyrrolidin-1-yl)methyl]-5-methoxyphenol
CID 62067190
5-methoxy-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenol
CID 82983416
1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-ol
CID 2845869
N-(3-hydroxyphenyl)-2-(3-methoxyphenyl)acetamide
CID 28739724
3-ethyl-N-(3-methoxyphenyl)-4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidine-1-carboxamide
CID 73139411
(3S,4S)-3-ethyl-N-(3-methoxyphenyl)-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]piperidine-1-carboxamide
CID 162806830

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-hydroxyphenyl)acetamide?
The IUPAC name of 2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-hydroxyphenyl)acetamide (CID 73149093) is 2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-hydroxyphenyl)acetamide?
The canonical SMILES for 2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-hydroxyphenyl)acetamide is CCC1CN(Cc2ccc(OC)cc2O)CCC1CC(=O)Nc1cccc(O)c1.
What is the InChIKey of 2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-hydroxyphenyl)acetamide?
The InChIKey is LGIFMZIWXOSJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-3-16-14-25(15-18-7-8-21(29-2)13-22(18)27)10-9-17(16)11-23(28)24-19-5-4-6-20(26)12-19/h4-8,12-13,16-17,26-27H,3,9-11,14-15H2,1-2H3,(H,24,28).
What are the key properties of 2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-hydroxyphenyl)acetamide?
2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-hydroxyphenyl)acetamide has a molecular weight of 398.50 g/mol, XLogP of 3.98, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 73149093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).