4-tert-butyl-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide

C25H32N2O3 — CID 108554173

IUPAC4-tert-butyl-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
SMILESCc1ccc(OCC(=O)N2CCC(NC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C25H32N2O3/c1-18-5-11-22(12-6-18)30-17-23(28)27-15-13-21(14-16-27)26-24(29)19-7-9-20(10-8-19)25(2,3)4/h5-12,21H,13-17H2,1-4H3,(H,26,29)
InChIKeyTYGDSHYBWKZVKC-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.09
Rot. Bonds5

About 4-tert-butyl-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide

4-tert-butyl-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide (PubChem CID 108554173) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
PubChem CID108554173
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name4-tert-butyl-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
SMILESCc1ccc(OCC(=O)N2CCC(NC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C25H32N2O3/c1-18-5-11-22(12-6-18)30-17-23(28)27-15-13-21(14-16-27)26-24(29)19-7-9-20(10-8-19)25(2,3)4/h5-12,21H,13-17H2,1-4H3,(H,26,29)
InChIKeyTYGDSHYBWKZVKC-UHFFFAOYSA-N
XLogP4.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108551924
4-fluoro-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 33009719
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549110
3,4,5-trimethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108549305
2,2,2-trifluoro-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108548756
4-tert-butyl-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108554170
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-ethoxybenzamide
CID 108551882
N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549152
2-[4-[2-(4-tert-butylphenoxy)acetyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 31426677
N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-4-fluorobenzamide
CID 108549411
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549148
4-methoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108548924

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide (CID 108554173) is 4-tert-butyl-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide is Cc1ccc(OCC(=O)N2CCC(NC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide?
The InChIKey is TYGDSHYBWKZVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-18-5-11-22(12-6-18)30-17-23(28)27-15-13-21(14-16-27)26-24(29)19-7-9-20(10-8-19)25(2,3)4/h5-12,21H,13-17H2,1-4H3,(H,26,29).
What are the key properties of 4-tert-butyl-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide?
4-tert-butyl-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide has a molecular weight of 408.54 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 108554173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).