2-(4-ethoxyphenyl)-N-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide

C22H28N2O3 — CID 125168981

IUPAC2-(4-ethoxyphenyl)-N-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide
SMILESCCOc1ccc(CC(=O)N[C@H]2CCCN(Cc3cccc(O)c3)C2)cc1
InChIInChI=1S/C22H28N2O3/c1-2-27-21-10-8-17(9-11-21)14-22(26)23-19-6-4-12-24(16-19)15-18-5-3-7-20(25)13-18/h3,5,7-11,13,19,25H,2,4,6,12,14-16H2,1H3,(H,23,26)/t19-/m0/s1
InChIKeyLHELJXMSWMFKDE-IBGZPJMESA-N
MW368.48 g/mol
LogP3.11
Rot. Bonds7

About 2-(4-ethoxyphenyl)-N-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide

2-(4-ethoxyphenyl)-N-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide (PubChem CID 125168981) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide
PubChem CID125168981
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-(4-ethoxyphenyl)-N-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide
SMILESCCOc1ccc(CC(=O)N[C@H]2CCCN(Cc3cccc(O)c3)C2)cc1
InChIInChI=1S/C22H28N2O3/c1-2-27-21-10-8-17(9-11-21)14-22(26)23-19-6-4-12-24(16-19)15-18-5-3-7-20(25)13-18/h3,5,7-11,13,19,25H,2,4,6,12,14-16H2,1H3,(H,23,26)/t19-/m0/s1
InChIKeyLHELJXMSWMFKDE-IBGZPJMESA-N
XLogP3.11
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 125176454
N-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-2-methylpyrimidine-5-carboxamide
CID 125168473
N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-4-pyrazol-1-ylbutanamide
CID 125178153
2-(4-chlorophenyl)sulfanyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide
CID 131903383
N-(1-benzylpyrrolidin-3-yl)-2-(4-ethoxyphenyl)sulfanylacetamide
CID 46684567
3-[[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]carbamoylamino]propanoic acid
CID 131934062
N-(1-benzylpiperidin-3-yl)-2-(2,4-dimethoxyphenyl)acetamide
CID 55644626
N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-5-methoxy-2-methylpyridine-4-carboxamide
CID 146042653
2-(4-aminophenoxy)-N-(1-benzylpiperidin-3-yl)acetamide
CID 113239292
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
3-[[(3S)-4-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 29152620
N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 131901421

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide (CID 125168981) is 2-(4-ethoxyphenyl)-N-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide is CCOc1ccc(CC(=O)N[C@H]2CCCN(Cc3cccc(O)c3)C2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide?
The InChIKey is LHELJXMSWMFKDE-IBGZPJMESA-N. The full InChI is InChI=1S/C22H28N2O3/c1-2-27-21-10-8-17(9-11-21)14-22(26)23-19-6-4-12-24(16-19)15-18-5-3-7-20(25)13-18/h3,5,7-11,13,19,25H,2,4,6,12,14-16H2,1H3,(H,23,26)/t19-/m0/s1.
What are the key properties of 2-(4-ethoxyphenyl)-N-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide?
2-(4-ethoxyphenyl)-N-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 125168981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).