N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide

C24H32N2O3 — CID 42362575

IUPACN-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
SMILESCCc1ccc(CN2CCC[C@H](CNC(=O)COc3ccccc3OC)C2)cc1
InChIInChI=1S/C24H32N2O3/c1-3-19-10-12-20(13-11-19)16-26-14-6-7-21(17-26)15-25-24(27)18-29-23-9-5-4-8-22(23)28-2/h4-5,8-13,21H,3,6-7,14-18H2,1-2H3,(H,25,27)/t21-/m1/s1
InChIKeyWAWQONSSNNUTPB-OAQYLSRUSA-N
MW396.53 g/mol
LogP3.66
Rot. Bonds9

About N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide

N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 42362575) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID42362575
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
SMILESCCc1ccc(CN2CCC[C@H](CNC(=O)COc3ccccc3OC)C2)cc1
InChIInChI=1S/C24H32N2O3/c1-3-19-10-12-20(13-11-19)16-26-14-6-7-21(17-26)15-25-24(27)18-29-23-9-5-4-8-22(23)28-2/h4-5,8-13,21H,3,6-7,14-18H2,1-2H3,(H,25,27)/t21-/m1/s1
InChIKeyWAWQONSSNNUTPB-OAQYLSRUSA-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-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2,3-dimethoxybenzamide
CID 25297300
N-(cyclohexylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 2083257
N-[[(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 42525815
N-[(1-ethylpiperidin-4-yl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 51092761
N-[[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 23723842
2-methoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 95222271
N-[[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 45236759
2-hydroxy-N-[[(3R)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]methyl]acetamide
CID 95209152
2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-4-(2-methoxyethoxy)butanamide
CID 95186738
N-[[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]oxyacetamide
CID 22115323

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide (CID 42362575) is N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide is CCc1ccc(CN2CCC[C@H](CNC(=O)COc3ccccc3OC)C2)cc1.
What is the InChIKey of N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is WAWQONSSNNUTPB-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-3-19-10-12-20(13-11-19)16-26-14-6-7-21(17-26)15-25-24(27)18-29-23-9-5-4-8-22(23)28-2/h4-5,8-13,21H,3,6-7,14-18H2,1-2H3,(H,25,27)/t21-/m1/s1.
What are the key properties of N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide?
N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)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-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 42362575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).