2-[4-[[2-(2,6-dimethylphenoxy)acetyl]amino]piperidin-1-yl]acetamide

C17H25N3O3 — CID 134047526

IUPAC2-[4-[[2-(2,6-dimethylphenoxy)acetyl]amino]piperidin-1-yl]acetamide
SMILESCc1cccc(C)c1OCC(=O)NC1CCN(CC(N)=O)CC1
InChIInChI=1S/C17H25N3O3/c1-12-4-3-5-13(2)17(12)23-11-16(22)19-14-6-8-20(9-7-14)10-15(18)21/h3-5,14H,6-11H2,1-2H3,(H2,18,21)(H,19,22)
InChIKeyIYMGVKSKXRNFEE-UHFFFAOYSA-N
MW319.40 g/mol
LogP0.75
Rot. Bonds6

About 2-[4-[[2-(2,6-dimethylphenoxy)acetyl]amino]piperidin-1-yl]acetamide

2-[4-[[2-(2,6-dimethylphenoxy)acetyl]amino]piperidin-1-yl]acetamide (PubChem CID 134047526) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-[4-[[2-(2,6-dimethylphenoxy)acetyl]amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[[2-(2,6-dimethylphenoxy)acetyl]amino]piperidin-1-yl]acetamide
PubChem CID134047526
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name2-[4-[[2-(2,6-dimethylphenoxy)acetyl]amino]piperidin-1-yl]acetamide
SMILESCc1cccc(C)c1OCC(=O)NC1CCN(CC(N)=O)CC1
InChIInChI=1S/C17H25N3O3/c1-12-4-3-5-13(2)17(12)23-11-16(22)19-14-6-8-20(9-7-14)10-15(18)21/h3-5,14H,6-11H2,1-2H3,(H2,18,21)(H,19,22)
InChIKeyIYMGVKSKXRNFEE-UHFFFAOYSA-N
XLogP0.75
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dimethylphenoxy)propanamide
CID 86985236
tert-butyl 4-[[2-(2,6-dimethylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 55986374
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-fluoro-3-methylbenzamide
CID 80710716
2-[2-(aminomethyl)-6-methylphenoxy]-N-cyclopentylacetamide
CID 112607289
2-[2-(2-aminopropyl)-6-methylphenoxy]-N-cyclopentylacetamide
CID 115958124
2-[4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]piperidin-1-yl]acetamide
CID 30776260
N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylphenoxy)acetamide
CID 119605033
3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylbenzamide
CID 61140963
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,3-dimethylanilino)benzamide
CID 134047765
2-[4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]piperidin-1-yl]acetamide
CID 134047639
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,4-dimethylphenyl)propanamide
CID 134047888
2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylacetamide
CID 115958175

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2,6-dimethylphenoxy)acetyl]amino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[[2-(2,6-dimethylphenoxy)acetyl]amino]piperidin-1-yl]acetamide (CID 134047526) is 2-[4-[[2-(2,6-dimethylphenoxy)acetyl]amino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[[2-(2,6-dimethylphenoxy)acetyl]amino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[[2-(2,6-dimethylphenoxy)acetyl]amino]piperidin-1-yl]acetamide is Cc1cccc(C)c1OCC(=O)NC1CCN(CC(N)=O)CC1.
What is the InChIKey of 2-[4-[[2-(2,6-dimethylphenoxy)acetyl]amino]piperidin-1-yl]acetamide?
The InChIKey is IYMGVKSKXRNFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12-4-3-5-13(2)17(12)23-11-16(22)19-14-6-8-20(9-7-14)10-15(18)21/h3-5,14H,6-11H2,1-2H3,(H2,18,21)(H,19,22).
What are the key properties of 2-[4-[[2-(2,6-dimethylphenoxy)acetyl]amino]piperidin-1-yl]acetamide?
2-[4-[[2-(2,6-dimethylphenoxy)acetyl]amino]piperidin-1-yl]acetamide has a molecular weight of 319.40 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2,6-dimethylphenoxy)acetyl]amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 134047526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).