2-[4-[[2-[4-(3-oxobutyl)phenoxy]acetyl]amino]piperidin-1-yl]-N-phenylacetamide

C25H31N3O4 — CID 55524217

IUPAC2-[4-[[2-[4-(3-oxobutyl)phenoxy]acetyl]amino]piperidin-1-yl]-N-phenylacetamide
SMILESCC(=O)CCc1ccc(OCC(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C25H31N3O4/c1-19(29)7-8-20-9-11-23(12-10-20)32-18-25(31)27-22-13-15-28(16-14-22)17-24(30)26-21-5-3-2-4-6-21/h2-6,9-12,22H,7-8,13-18H2,1H3,(H,26,30)(H,27,31)
InChIKeySFEORWKPMGBWCL-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.81
Rot. Bonds10

About 2-[4-[[2-[4-(3-oxobutyl)phenoxy]acetyl]amino]piperidin-1-yl]-N-phenylacetamide

2-[4-[[2-[4-(3-oxobutyl)phenoxy]acetyl]amino]piperidin-1-yl]-N-phenylacetamide (PubChem CID 55524217) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is 2-[4-[[2-[4-(3-oxobutyl)phenoxy]acetyl]amino]piperidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[[2-[4-(3-oxobutyl)phenoxy]acetyl]amino]piperidin-1-yl]-N-phenylacetamide
PubChem CID55524217
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name2-[4-[[2-[4-(3-oxobutyl)phenoxy]acetyl]amino]piperidin-1-yl]-N-phenylacetamide
SMILESCC(=O)CCc1ccc(OCC(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C25H31N3O4/c1-19(29)7-8-20-9-11-23(12-10-20)32-18-25(31)27-22-13-15-28(16-14-22)17-24(30)26-21-5-3-2-4-6-21/h2-6,9-12,22H,7-8,13-18H2,1H3,(H,26,30)(H,27,31)
InChIKeySFEORWKPMGBWCL-UHFFFAOYSA-N
XLogP2.81
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[2-[4-(3-oxobutyl)phenoxy]acetyl]amino]piperidin-1-yl]-N-phenylacetamide with MolForge

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Related Compounds

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 18149186
N-(1-benzyl-2-methylpiperidin-4-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 86813309
N-[1-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55853187
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 29326253
N-[1-(3-phenylpropanoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553098
N-phenyl-2-[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]piperidin-1-yl]acetamide
CID 16589772
N-(4-fluorophenyl)-2-[4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazin-1-yl]acetamide
CID 55733574
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-chlorophenyl)acetamide
CID 16589818
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-thiophen-3-ylpropanamide
CID 16613440
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-(phenylcarbamoylamino)propanamide
CID 55893945
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide
CID 120564436
N-[1-[(4-ethoxyphenyl)carbamothioyl]piperidin-4-yl]-3-phenylpropanamide
CID 43076689

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[4-(3-oxobutyl)phenoxy]acetyl]amino]piperidin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[[2-[4-(3-oxobutyl)phenoxy]acetyl]amino]piperidin-1-yl]-N-phenylacetamide (CID 55524217) is 2-[4-[[2-[4-(3-oxobutyl)phenoxy]acetyl]amino]piperidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[[2-[4-(3-oxobutyl)phenoxy]acetyl]amino]piperidin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[[2-[4-(3-oxobutyl)phenoxy]acetyl]amino]piperidin-1-yl]-N-phenylacetamide is CC(=O)CCc1ccc(OCC(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of 2-[4-[[2-[4-(3-oxobutyl)phenoxy]acetyl]amino]piperidin-1-yl]-N-phenylacetamide?
The InChIKey is SFEORWKPMGBWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-19(29)7-8-20-9-11-23(12-10-20)32-18-25(31)27-22-13-15-28(16-14-22)17-24(30)26-21-5-3-2-4-6-21/h2-6,9-12,22H,7-8,13-18H2,1H3,(H,26,30)(H,27,31).
What are the key properties of 2-[4-[[2-[4-(3-oxobutyl)phenoxy]acetyl]amino]piperidin-1-yl]-N-phenylacetamide?
2-[4-[[2-[4-(3-oxobutyl)phenoxy]acetyl]amino]piperidin-1-yl]-N-phenylacetamide has a molecular weight of 437.54 g/mol, XLogP of 2.81, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[4-(3-oxobutyl)phenoxy]acetyl]amino]piperidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 55524217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).