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

C20H32N2O4 — CID 163139330

IUPAC2-[(3S,4S)-3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)acetamide
SMILESCC[C@@H]1CN(Cc2ccc(OC)cc2O)CC[C@H]1CC(=O)NCCOC
InChIInChI=1S/C20H32N2O4/c1-4-15-13-22(14-17-5-6-18(26-3)12-19(17)23)9-7-16(15)11-20(24)21-8-10-25-2/h5-6,12,15-16,23H,4,7-11,13-14H2,1-3H3,(H,21,24)/t15-,16+/m1/s1
InChIKeyJEKPASPTTVFFMK-CVEARBPZSA-N
MW364.49 g/mol
LogP2.40
Rot. Bonds9

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

2-[(3S,4S)-3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 163139330) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[(3S,4S)-3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(3S,4S)-3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)acetamide
PubChem CID163139330
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Name2-[(3S,4S)-3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)acetamide
SMILESCC[C@@H]1CN(Cc2ccc(OC)cc2O)CC[C@H]1CC(=O)NCCOC
InChIInChI=1S/C20H32N2O4/c1-4-15-13-22(14-17-5-6-18(26-3)12-19(17)23)9-7-16(15)11-20(24)21-8-10-25-2/h5-6,12,15-16,23H,4,7-11,13-14H2,1-3H3,(H,21,24)/t15-,16+/m1/s1
InChIKeyJEKPASPTTVFFMK-CVEARBPZSA-N
XLogP2.40
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(3S,4S)-3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)acetamide 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-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-hydroxyphenyl)acetamide
CID 73149093
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
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylpiperidin-4-amine
CID 81457163
3-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine
CID 102875920
methyl 1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3-carboxylate
CID 102878542
2-[(3-ethylpyrrolidin-1-yl)methyl]-4-methoxyphenol
CID 113351697

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(3S,4S)-3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)acetamide (CID 163139330) is 2-[(3S,4S)-3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(3S,4S)-3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(3S,4S)-3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)acetamide is CC[C@@H]1CN(Cc2ccc(OC)cc2O)CC[C@H]1CC(=O)NCCOC.
What is the InChIKey of 2-[(3S,4S)-3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is JEKPASPTTVFFMK-CVEARBPZSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-4-15-13-22(14-17-5-6-18(26-3)12-19(17)23)9-7-16(15)11-20(24)21-8-10-25-2/h5-6,12,15-16,23H,4,7-11,13-14H2,1-3H3,(H,21,24)/t15-,16+/m1/s1.
What are the key properties of 2-[(3S,4S)-3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)acetamide?
2-[(3S,4S)-3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 364.49 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 163139330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).