2-[1-[2-(2-tert-butylphenoxy)acetyl]piperidin-4-yl]acetamide

C19H28N2O3 — CID 56813572

IUPAC2-[1-[2-(2-tert-butylphenoxy)acetyl]piperidin-4-yl]acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)N1CCC(CC(N)=O)CC1
InChIInChI=1S/C19H28N2O3/c1-19(2,3)15-6-4-5-7-16(15)24-13-18(23)21-10-8-14(9-11-21)12-17(20)22/h4-7,14H,8-13H2,1-3H3,(H2,20,22)
InChIKeyQZTQRWDYDDJZFD-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.48
Rot. Bonds5

About 2-[1-[2-(2-tert-butylphenoxy)acetyl]piperidin-4-yl]acetamide

2-[1-[2-(2-tert-butylphenoxy)acetyl]piperidin-4-yl]acetamide (PubChem CID 56813572) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-[1-[2-(2-tert-butylphenoxy)acetyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[2-(2-tert-butylphenoxy)acetyl]piperidin-4-yl]acetamide
PubChem CID56813572
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2-[1-[2-(2-tert-butylphenoxy)acetyl]piperidin-4-yl]acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)N1CCC(CC(N)=O)CC1
InChIInChI=1S/C19H28N2O3/c1-19(2,3)15-6-4-5-7-16(15)24-13-18(23)21-10-8-14(9-11-21)12-17(20)22/h4-7,14H,8-13H2,1-3H3,(H2,20,22)
InChIKeyQZTQRWDYDDJZFD-UHFFFAOYSA-N
XLogP2.48
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone
CID 92922616
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-tert-butylphenoxy)ethanone
CID 119411568
2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 60681856
1-(3-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone
CID 119379721
2-(2-tert-butylphenoxy)-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 31059122
2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-2-oxoacetamide
CID 70878278
2-(2-tert-butylphenoxy)acetamide
CID 17051379
(3S,4S)-1-[2-(2-tert-butylphenoxy)acetyl]-4-methylpyrrolidine-3-carboxamide
CID 128984117
1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(2-tert-butylphenoxy)ethanone
CID 24658602
1-[4-(3-aminopropyl)piperazin-1-yl]-2-(2-tert-butylphenoxy)ethanone
CID 54852543
2-[1-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperidin-4-yl]acetamide
CID 56815970
2-(2-tert-butylphenoxy)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 78806147

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-tert-butylphenoxy)acetyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[2-(2-tert-butylphenoxy)acetyl]piperidin-4-yl]acetamide (CID 56813572) is 2-[1-[2-(2-tert-butylphenoxy)acetyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[2-(2-tert-butylphenoxy)acetyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[2-(2-tert-butylphenoxy)acetyl]piperidin-4-yl]acetamide is CC(C)(C)c1ccccc1OCC(=O)N1CCC(CC(N)=O)CC1.
What is the InChIKey of 2-[1-[2-(2-tert-butylphenoxy)acetyl]piperidin-4-yl]acetamide?
The InChIKey is QZTQRWDYDDJZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-19(2,3)15-6-4-5-7-16(15)24-13-18(23)21-10-8-14(9-11-21)12-17(20)22/h4-7,14H,8-13H2,1-3H3,(H2,20,22).
What are the key properties of 2-[1-[2-(2-tert-butylphenoxy)acetyl]piperidin-4-yl]acetamide?
2-[1-[2-(2-tert-butylphenoxy)acetyl]piperidin-4-yl]acetamide has a molecular weight of 332.44 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-tert-butylphenoxy)acetyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 56813572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).