N-methyl-N-(1-methylpiperidin-4-yl)-2-(2-phenylphenoxy)acetamide;hydrochloride

C21H27ClN2O2 — CID 6602904

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-2-(2-phenylphenoxy)acetamide;hydrochloride
SMILESCN1CCC(N(C)C(=O)COc2ccccc2-c2ccccc2)CC1.Cl
InChIInChI=1S/C21H26N2O2.ClH/c1-22-14-12-18(13-15-22)23(2)21(24)16-25-20-11-7-6-10-19(20)17-8-4-3-5-9-17;/h3-11,18H,12-16H2,1-2H3;1H
InChIKeyJUCFEBFQTILULX-UHFFFAOYSA-N
MW374.91 g/mol
LogP3.71
Rot. Bonds5

About N-methyl-N-(1-methylpiperidin-4-yl)-2-(2-phenylphenoxy)acetamide;hydrochloride

N-methyl-N-(1-methylpiperidin-4-yl)-2-(2-phenylphenoxy)acetamide;hydrochloride (PubChem CID 6602904) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-2-(2-phenylphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-2-(2-phenylphenoxy)acetamide;hydrochloride
PubChem CID6602904
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-2-(2-phenylphenoxy)acetamide;hydrochloride
SMILESCN1CCC(N(C)C(=O)COc2ccccc2-c2ccccc2)CC1.Cl
InChIInChI=1S/C21H26N2O2.ClH/c1-22-14-12-18(13-15-22)23(2)21(24)16-25-20-11-7-6-10-19(20)17-8-4-3-5-9-17;/h3-11,18H,12-16H2,1-2H3;1H
InChIKeyJUCFEBFQTILULX-UHFFFAOYSA-N
XLogP3.71
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-2-(2-phenylphenoxy)acetamide;hydrochloride?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-2-(2-phenylphenoxy)acetamide;hydrochloride (CID 6602904) is N-methyl-N-(1-methylpiperidin-4-yl)-2-(2-phenylphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-2-(2-phenylphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-2-(2-phenylphenoxy)acetamide;hydrochloride is CN1CCC(N(C)C(=O)COc2ccccc2-c2ccccc2)CC1.Cl.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-2-(2-phenylphenoxy)acetamide;hydrochloride?
The InChIKey is JUCFEBFQTILULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2.ClH/c1-22-14-12-18(13-15-22)23(2)21(24)16-25-20-11-7-6-10-19(20)17-8-4-3-5-9-17;/h3-11,18H,12-16H2,1-2H3;1H.
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-2-(2-phenylphenoxy)acetamide;hydrochloride?
N-methyl-N-(1-methylpiperidin-4-yl)-2-(2-phenylphenoxy)acetamide;hydrochloride has a molecular weight of 374.91 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-2-(2-phenylphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 6602904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).