N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide

C25H32N2O4 — CID 108556694

IUPACN-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NC1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C25H32N2O4/c1-25(2,3)19-11-9-18(10-12-19)24(29)27-15-13-20(14-16-27)26-23(28)17-31-22-8-6-5-7-21(22)30-4/h5-12,20H,13-17H2,1-4H3,(H,26,28)
InChIKeyBSTZFMDAZGQVAH-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.79
Rot. Bonds6

About N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide

N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 108556694) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide
PubChem CID108556694
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC NameN-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NC1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C25H32N2O4/c1-25(2,3)19-11-9-18(10-12-19)24(29)27-15-13-20(14-16-27)26-23(28)17-31-22-8-6-5-7-21(22)30-4/h5-12,20H,13-17H2,1-4H3,(H,26,28)
InChIKeyBSTZFMDAZGQVAH-UHFFFAOYSA-N
XLogP3.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxyphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108552674
4-tert-butyl-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108554170
N-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide
CID 108556653
2-(2-ethylphenoxy)-N-[1-(4-methoxybenzoyl)piperidin-4-yl]acetamide
CID 108557033
[3-[4-[[2-(2-methoxyphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate
CID 108556647
2-methoxy-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108557222
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553085
2-(2-methoxyphenoxy)-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]acetamide
CID 108556719
4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822362
4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide
CID 51324414
[4-[4-[[2-(2-ethoxyphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108930343
2-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108549263

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide (CID 108556694) is N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NC1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is BSTZFMDAZGQVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-25(2,3)19-11-9-18(10-12-19)24(29)27-15-13-20(14-16-27)26-23(28)17-31-22-8-6-5-7-21(22)30-4/h5-12,20H,13-17H2,1-4H3,(H,26,28).
What are the key properties of N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide?
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 424.54 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 108556694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).