2-(2-tert-butylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide

C18H28N2O2 — CID 120556447

IUPAC2-(2-tert-butylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide
SMILESCC1CNCCC1NC(=O)COc1ccccc1C(C)(C)C
InChIInChI=1S/C18H28N2O2/c1-13-11-19-10-9-15(13)20-17(21)12-22-16-8-6-5-7-14(16)18(2,3)4/h5-8,13,15,19H,9-12H2,1-4H3,(H,20,21)
InChIKeyWABRDSPZYACJLG-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.48
Rot. Bonds4

About 2-(2-tert-butylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide

2-(2-tert-butylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide (PubChem CID 120556447) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide
PubChem CID120556447
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-(2-tert-butylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide
SMILESCC1CNCCC1NC(=O)COc1ccccc1C(C)(C)C
InChIInChI=1S/C18H28N2O2/c1-13-11-19-10-9-15(13)20-17(21)12-22-16-8-6-5-7-14(16)18(2,3)4/h5-8,13,15,19H,9-12H2,1-4H3,(H,20,21)
InChIKeyWABRDSPZYACJLG-UHFFFAOYSA-N
XLogP2.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide
CID 120557733
2-(2-tert-butylphenoxy)-N-piperidin-3-ylacetamide;hydrochloride
CID 119426969
2-(2-tert-butylphenoxy)-N-[2-[[2-(2-tert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 17051386
2-(2-chloro-4-fluorophenoxy)-N-(3-methylpiperidin-4-yl)acetamide
CID 120557960
2-(2,4-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120555880
N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide
CID 120555735
N-(3-methylpiperidin-4-yl)-2-(4-propoxyphenoxy)acetamide
CID 120555604
3-(2-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide
CID 120556122
2-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556862
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
N-(3-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide;hydrochloride
CID 120554661
N-(3-methylpiperidin-4-yl)-3-phenoxypropanamide
CID 79886279

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide (CID 120556447) is 2-(2-tert-butylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide is CC1CNCCC1NC(=O)COc1ccccc1C(C)(C)C.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide?
The InChIKey is WABRDSPZYACJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13-11-19-10-9-15(13)20-17(21)12-22-16-8-6-5-7-14(16)18(2,3)4/h5-8,13,15,19H,9-12H2,1-4H3,(H,20,21).
What are the key properties of 2-(2-tert-butylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide?
2-(2-tert-butylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide has a molecular weight of 304.43 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 120556447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).