2-(2,3-dimethylphenoxy)-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]acetamide

C22H26N2O4 — CID 108552814

IUPAC2-(2,3-dimethylphenoxy)-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]acetamide
SMILESCc1cccc(OCC(=O)NC2CCN(C(=O)c3ccccc3O)CC2)c1C
InChIInChI=1S/C22H26N2O4/c1-15-6-5-9-20(16(15)2)28-14-21(26)23-17-10-12-24(13-11-17)22(27)18-7-3-4-8-19(18)25/h3-9,17,25H,10-14H2,1-2H3,(H,23,26)
InChIKeyDCCKIDHLGDLDJM-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.81
Rot. Bonds5

About 2-(2,3-dimethylphenoxy)-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]acetamide

2-(2,3-dimethylphenoxy)-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]acetamide (PubChem CID 108552814) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]acetamide
PubChem CID108552814
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name2-(2,3-dimethylphenoxy)-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]acetamide
SMILESCc1cccc(OCC(=O)NC2CCN(C(=O)c3ccccc3O)CC2)c1C
InChIInChI=1S/C22H26N2O4/c1-15-6-5-9-20(16(15)2)28-14-21(26)23-17-10-12-24(13-11-17)22(27)18-7-3-4-8-19(18)25/h3-9,17,25H,10-14H2,1-2H3,(H,23,26)
InChIKeyDCCKIDHLGDLDJM-UHFFFAOYSA-N
XLogP2.81
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 108552797
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]acetamide
CID 108552743
N-(1-butanoylpiperidin-4-yl)-2-(2,3-dimethylphenoxy)acetamide
CID 108560809
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 108552807
N-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide
CID 108556653
2-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)acetamide
CID 43389110
N-[1-(2-hydroxybenzoyl)piperidin-4-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 51130240
N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]-2-methoxybenzamide
CID 108549210
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methylphenoxy)acetamide
CID 110819454
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(2-methylphenoxy)acetamide
CID 110819905
N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide
CID 2687934
N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]-3,4,5-trihydroxybenzamide
CID 108551499

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]acetamide (CID 108552814) is 2-(2,3-dimethylphenoxy)-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]acetamide is Cc1cccc(OCC(=O)NC2CCN(C(=O)c3ccccc3O)CC2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]acetamide?
The InChIKey is DCCKIDHLGDLDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15-6-5-9-20(16(15)2)28-14-21(26)23-17-10-12-24(13-11-17)22(27)18-7-3-4-8-19(18)25/h3-9,17,25H,10-14H2,1-2H3,(H,23,26).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]acetamide?
2-(2,3-dimethylphenoxy)-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]acetamide has a molecular weight of 382.46 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108552814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).