N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide

C26H32N2O4 — CID 108552086

IUPACN-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
SMILESCCc1ccccc1OCC(=O)N1CCC(NC(=O)CCC(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C26H32N2O4/c1-3-20-6-4-5-7-24(20)32-18-26(31)28-16-14-22(15-17-28)27-25(30)13-12-23(29)21-10-8-19(2)9-11-21/h4-11,22H,3,12-18H2,1-2H3,(H,27,30)
InChIKeyGWWFKXMIRWOYSD-UHFFFAOYSA-N
MW436.55 g/mol
LogP3.71
Rot. Bonds9

About N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide

N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide (PubChem CID 108552086) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
PubChem CID108552086
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC NameN-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
SMILESCCc1ccccc1OCC(=O)N1CCC(NC(=O)CCC(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C26H32N2O4/c1-3-20-6-4-5-7-24(20)32-18-26(31)28-16-14-22(15-17-28)27-25(30)13-12-23(29)21-10-8-19(2)9-11-21/h4-11,22H,3,12-18H2,1-2H3,(H,27,30)
InChIKeyGWWFKXMIRWOYSD-UHFFFAOYSA-N
XLogP3.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549148
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-3-methoxypropanamide
CID 108556239
4-(4-methylphenyl)-4-oxo-N-(1-propanoylpiperidin-4-yl)butanamide
CID 108552078
3-cyclohexyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108555743
N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide
CID 108557028
N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552093
2-ethyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]butanamide
CID 108555635
4-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550185
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552056
2-(2-ethylphenoxy)-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108557069
N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556085
3-methoxy-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556176

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide (CID 108552086) is N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide is CCc1ccccc1OCC(=O)N1CCC(NC(=O)CCC(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide?
The InChIKey is GWWFKXMIRWOYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-3-20-6-4-5-7-24(20)32-18-26(31)28-16-14-22(15-17-28)27-25(30)13-12-23(29)21-10-8-19(2)9-11-21/h4-11,22H,3,12-18H2,1-2H3,(H,27,30).
What are the key properties of N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide?
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide has a molecular weight of 436.55 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 108552086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).