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

C26H32N2O4 — CID 108552056

IUPACN-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
SMILESCCOc1ccc(CC(=O)N2CCC(NC(=O)CCC(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C26H32N2O4/c1-3-32-23-10-6-20(7-11-23)18-26(31)28-16-14-22(15-17-28)27-25(30)13-12-24(29)21-8-4-19(2)5-9-21/h4-11,22H,3,12-18H2,1-2H3,(H,27,30)
InChIKeyGKXQKDQMPOKWIM-UHFFFAOYSA-N
MW436.55 g/mol
LogP3.71
Rot. Bonds9

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

N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide (PubChem CID 108552056) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
PubChem CID108552056
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC NameN-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
SMILESCCOc1ccc(CC(=O)N2CCC(NC(=O)CCC(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C26H32N2O4/c1-3-32-23-10-6-20(7-11-23)18-26(31)28-16-14-22(15-17-28)27-25(30)13-12-24(29)21-8-4-19(2)5-9-21/h4-11,22H,3,12-18H2,1-2H3,(H,27,30)
InChIKeyGKXQKDQMPOKWIM-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

Analyze N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide with MolForge

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Related Compounds

2-(4-ethoxyphenyl)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108553966
4-(4-methylphenyl)-4-oxo-N-(1-propanoylpiperidin-4-yl)butanamide
CID 108552078
1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 108546051
2-(4-ethoxyphenyl)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108553901
2-cyano-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide
CID 108548382
ethyl 4-[4-[[2-(4-ethoxyphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate
CID 108561322
methyl 4-[[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]amino]-4-oxobutanoate
CID 110822777
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(4-phenylphenyl)butanamide
CID 112804103
N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108556941
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108557001
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552086
4-(4-ethoxyphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-oxobutanamide
CID 16613595

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide (CID 108552056) is N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide is CCOc1ccc(CC(=O)N2CCC(NC(=O)CCC(=O)c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide?
The InChIKey is GKXQKDQMPOKWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-3-32-23-10-6-20(7-11-23)18-26(31)28-16-14-22(15-17-28)27-25(30)13-12-24(29)21-8-4-19(2)5-9-21/h4-11,22H,3,12-18H2,1-2H3,(H,27,30).
What are the key properties of N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide?
N-[1-[2-(4-ethoxyphenyl)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-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 108552056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).