2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-2-oxoacetamide

C18H26N2O3 — CID 70878278

IUPAC2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-2-oxoacetamide
SMILESCC(C)(C)c1ccccc1OCC1CCN(C(=O)C(N)=O)CC1
InChIInChI=1S/C18H26N2O3/c1-18(2,3)14-6-4-5-7-15(14)23-12-13-8-10-20(11-9-13)17(22)16(19)21/h4-7,13H,8-12H2,1-3H3,(H2,19,21)
InChIKeyGZEMVLVQJOURTN-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.09
Rot. Bonds3

About 2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-2-oxoacetamide

2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-2-oxoacetamide (PubChem CID 70878278) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-2-oxoacetamide
PubChem CID70878278
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-2-oxoacetamide
SMILESCC(C)(C)c1ccccc1OCC1CCN(C(=O)C(N)=O)CC1
InChIInChI=1S/C18H26N2O3/c1-18(2,3)14-6-4-5-7-15(14)23-12-13-8-10-20(11-9-13)17(22)16(19)21/h4-7,13H,8-12H2,1-3H3,(H2,19,21)
InChIKeyGZEMVLVQJOURTN-UHFFFAOYSA-N
XLogP2.09
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-2-oxoacetic acid
CID 59577070
2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-N-methoxy-2-oxoacetamide
CID 59577125
2-[1-[2-(2-tert-butylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 56813572
3-[(2-tert-butylphenoxy)methyl]-1-methylpyrrolidine
CID 143793227
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
tert-butyl 3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidine-1-carboxylate
CID 24902819
oxiran-2-yl-[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methanone
CID 154880254
[1-[3-[(2-tert-butylphenoxy)methyl]pyrrolidin-1-yl]peroxy-1-oxopropan-2-yl] acetate
CID 91384573
1-(3-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone
CID 119379721
3-[(2-tert-butylphenoxy)methyl]azetidine
CID 59577199
tert-butyl 4-[(2-chlorophenoxy)methyl]piperidine-1-carboxylate
CID 154662433

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-2-oxoacetamide (CID 70878278) is 2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-2-oxoacetamide is CC(C)(C)c1ccccc1OCC1CCN(C(=O)C(N)=O)CC1.
What is the InChIKey of 2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-2-oxoacetamide?
The InChIKey is GZEMVLVQJOURTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-18(2,3)14-6-4-5-7-15(14)23-12-13-8-10-20(11-9-13)17(22)16(19)21/h4-7,13H,8-12H2,1-3H3,(H2,19,21).
What are the key properties of 2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-2-oxoacetamide?
2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-2-oxoacetamide has a molecular weight of 318.42 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 70878278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).