2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide

C24H32N2O4 — CID 60503424

IUPAC2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
SMILESCOc1cccc(OC)c1OC1CCN(CC(=O)NCCc2ccccc2C)CC1
InChIInChI=1S/C24H32N2O4/c1-18-7-4-5-8-19(18)11-14-25-23(27)17-26-15-12-20(13-16-26)30-24-21(28-2)9-6-10-22(24)29-3/h4-10,20H,11-17H2,1-3H3,(H,25,27)
InChIKeyISEMWNVEBRDWSW-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.21
Rot. Bonds9

About 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide

2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide (PubChem CID 60503424) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
PubChem CID60503424
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
SMILESCOc1cccc(OC)c1OC1CCN(CC(=O)NCCc2ccccc2C)CC1
InChIInChI=1S/C24H32N2O4/c1-18-7-4-5-8-19(18)11-14-25-23(27)17-26-15-12-20(13-16-26)30-24-21(28-2)9-6-10-22(24)29-3/h4-10,20H,11-17H2,1-3H3,(H,25,27)
InChIKeyISEMWNVEBRDWSW-UHFFFAOYSA-N
XLogP3.21
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 8754699
2-[[2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 55838143
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 38386256
1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 134046460
N-[2-(2-methylphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95333668
N-[1-(2-chlorophenyl)ethyl]-2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]acetamide
CID 60503652
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 120774994
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 47010786
1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904533
2-(4-fluoropiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171701323
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30672521
2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55838917

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide (CID 60503424) is 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide is COc1cccc(OC)c1OC1CCN(CC(=O)NCCc2ccccc2C)CC1.
What is the InChIKey of 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide?
The InChIKey is ISEMWNVEBRDWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-18-7-4-5-8-19(18)11-14-25-23(27)17-26-15-12-20(13-16-26)30-24-21(28-2)9-6-10-22(24)29-3/h4-10,20H,11-17H2,1-3H3,(H,25,27).
What are the key properties of 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide?
2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide has a molecular weight of 412.53 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 60503424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).