N-(1-benzyl-2-methylpiperidin-4-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide

C25H32N2O3 — CID 86813309

IUPACN-(1-benzyl-2-methylpiperidin-4-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide
SMILESCC(=O)CCc1ccc(OCC(=O)NC2CCN(Cc3ccccc3)C(C)C2)cc1
InChIInChI=1S/C25H32N2O3/c1-19-16-23(14-15-27(19)17-22-6-4-3-5-7-22)26-25(29)18-30-24-12-10-21(11-13-24)9-8-20(2)28/h3-7,10-13,19,23H,8-9,14-18H2,1-2H3,(H,26,29)
InChIKeyWJBOWKAXLZCAJA-UHFFFAOYSA-N
MW408.54 g/mol
LogP3.76
Rot. Bonds9

About N-(1-benzyl-2-methylpiperidin-4-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide

N-(1-benzyl-2-methylpiperidin-4-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide (PubChem CID 86813309) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is N-(1-benzyl-2-methylpiperidin-4-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(1-benzyl-2-methylpiperidin-4-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide
PubChem CID86813309
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC NameN-(1-benzyl-2-methylpiperidin-4-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide
SMILESCC(=O)CCc1ccc(OCC(=O)NC2CCN(Cc3ccccc3)C(C)C2)cc1
InChIInChI=1S/C25H32N2O3/c1-19-16-23(14-15-27(19)17-22-6-4-3-5-7-22)26-25(29)18-30-24-12-10-21(11-13-24)9-8-20(2)28/h3-7,10-13,19,23H,8-9,14-18H2,1-2H3,(H,26,29)
InChIKeyWJBOWKAXLZCAJA-UHFFFAOYSA-N
XLogP3.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-2-(4-fluorophenoxy)acetamide
CID 96559160
2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]acetamide
CID 124692107
2-[4-[[2-[4-(3-oxobutyl)phenoxy]acetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 55524217
N-[1-(3-phenylpropanoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553098
N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyanoacetamide
CID 165351593
3-(2-aminophenyl)-N-(1-benzyl-2-methylpiperidin-4-yl)propanamide;dihydrochloride
CID 120612982
N-(1-benzyl-2-methylpiperidin-4-yl)-3-bromoprop-2-ynamide
CID 131167223
N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyclopent-2-en-1-ylacetamide
CID 166228361
N-(1-benzyl-2-methylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 71860677
2-(4-aminophenoxy)-N-(1-benzylpiperidin-3-yl)acetamide
CID 113239292
1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-[[4-(2-methoxyethoxy)phenyl]methyl]guanidine
CID 109459448
N-[1-[2-(4-iodophenoxy)acetyl]piperidin-4-yl]-3-phenylpropanamide
CID 55692445

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-methylpiperidin-4-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide?
The IUPAC name of N-(1-benzyl-2-methylpiperidin-4-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide (CID 86813309) is N-(1-benzyl-2-methylpiperidin-4-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide.
What is the SMILES notation for N-(1-benzyl-2-methylpiperidin-4-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide?
The canonical SMILES for N-(1-benzyl-2-methylpiperidin-4-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide is CC(=O)CCc1ccc(OCC(=O)NC2CCN(Cc3ccccc3)C(C)C2)cc1.
What is the InChIKey of N-(1-benzyl-2-methylpiperidin-4-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide?
The InChIKey is WJBOWKAXLZCAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-19-16-23(14-15-27(19)17-22-6-4-3-5-7-22)26-25(29)18-30-24-12-10-21(11-13-24)9-8-20(2)28/h3-7,10-13,19,23H,8-9,14-18H2,1-2H3,(H,26,29).
What are the key properties of N-(1-benzyl-2-methylpiperidin-4-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide?
N-(1-benzyl-2-methylpiperidin-4-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide has a molecular weight of 408.54 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-methylpiperidin-4-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide is sourced from PubChem (CID 86813309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).