2-(4-benzoylphenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride

C21H25ClN2O3 — CID 120600141

IUPAC2-(4-benzoylphenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
SMILESCC1CC(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)CCN1.Cl
InChIInChI=1S/C21H24N2O3.ClH/c1-15-13-18(11-12-22-15)23-20(24)14-26-19-9-7-17(8-10-19)21(25)16-5-3-2-4-6-16;/h2-10,15,18,22H,11-14H2,1H3,(H,23,24);1H
InChIKeyJVJBXCOTYMXFRO-UHFFFAOYSA-N
MW388.90 g/mol
LogP2.97
Rot. Bonds6

About 2-(4-benzoylphenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride

2-(4-benzoylphenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride (PubChem CID 120600141) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
PubChem CID120600141
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name2-(4-benzoylphenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
SMILESCC1CC(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)CCN1.Cl
InChIInChI=1S/C21H24N2O3.ClH/c1-15-13-18(11-12-22-15)23-20(24)14-26-19-9-7-17(8-10-19)21(25)16-5-3-2-4-6-16;/h2-10,15,18,22H,11-14H2,1H3,(H,23,24);1H
InChIKeyJVJBXCOTYMXFRO-UHFFFAOYSA-N
XLogP2.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzoylphenoxy)-N-piperidin-3-ylacetamide
CID 119426216
N-(2-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120599481
N-(2-methylpiperidin-4-yl)-2-naphthalen-1-yloxyacetamide;hydrochloride
CID 120599567
N-(2-methylpiperidin-4-yl)-2-phenylmethoxyacetamide
CID 120597809
4-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601539
3-(4-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120598284
2-(3-methoxy-4-nitrophenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120600849
N-(2-methylpiperidin-4-yl)-3,3-diphenylpropanamide
CID 120598997
2-(4-benzoylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 134038104
4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)-3-phenylbutanamide
CID 120598618
2-(4-benzoylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119578085
3-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)propanamide
CID 120597846

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-(4-benzoylphenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride (CID 120600141) is 2-(4-benzoylphenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-benzoylphenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-benzoylphenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride is CC1CC(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)CCN1.Cl.
What is the InChIKey of 2-(4-benzoylphenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride?
The InChIKey is JVJBXCOTYMXFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3.ClH/c1-15-13-18(11-12-22-15)23-20(24)14-26-19-9-7-17(8-10-19)21(25)16-5-3-2-4-6-16;/h2-10,15,18,22H,11-14H2,1H3,(H,23,24);1H.
What are the key properties of 2-(4-benzoylphenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride?
2-(4-benzoylphenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride has a molecular weight of 388.90 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120600141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).