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

C24H32N2O3 — CID 23723842

IUPACN-[[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
SMILESCCOc1ccccc1CN1CCCC(CNC(=O)Cc2ccc(OC)cc2)C1
InChIInChI=1S/C24H32N2O3/c1-3-29-23-9-5-4-8-21(23)18-26-14-6-7-20(17-26)16-25-24(27)15-19-10-12-22(28-2)13-11-19/h4-5,8-13,20H,3,6-7,14-18H2,1-2H3,(H,25,27)
InChIKeyTVLKNHPJRKPFNO-UHFFFAOYSA-N
MW396.53 g/mol
LogP3.66
Rot. Bonds9

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

N-[[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 23723842) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
PubChem CID23723842
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-[[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
SMILESCCOc1ccccc1CN1CCCC(CNC(=O)Cc2ccc(OC)cc2)C1
InChIInChI=1S/C24H32N2O3/c1-3-29-23-9-5-4-8-21(23)18-26-14-6-7-20(17-26)16-25-24(27)15-19-10-12-22(28-2)13-11-19/h4-5,8-13,20H,3,6-7,14-18H2,1-2H3,(H,25,27)
InChIKeyTVLKNHPJRKPFNO-UHFFFAOYSA-N
XLogP3.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 23723951
N-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 23723823
3-[(3R)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 26412386
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 45235401
1-(4-chlorophenyl)-N-[[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 42213685
N-[(2-ethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 38009470
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 42362575
2-(4-methoxyphenyl)-N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methyl]acetamide
CID 25374202
2-(4-methoxyphenyl)-N-[[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methyl]acetamide
CID 25374197
N-[[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 22115368
N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 62582034

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide (CID 23723842) is N-[[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide is CCOc1ccccc1CN1CCCC(CNC(=O)Cc2ccc(OC)cc2)C1.
What is the InChIKey of N-[[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is TVLKNHPJRKPFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-3-29-23-9-5-4-8-21(23)18-26-14-6-7-20(17-26)16-25-24(27)15-19-10-12-22(28-2)13-11-19/h4-5,8-13,20H,3,6-7,14-18H2,1-2H3,(H,25,27).
What are the key properties of N-[[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide?
N-[[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 396.53 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 23723842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).