N-[(4-methoxyphenyl)methyl]-2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxyacetamide

C21H26N2O5 — CID 51044682

IUPACN-[(4-methoxyphenyl)methyl]-2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxyacetamide
SMILESCOc1ccc(CNC(=O)COc2coc(CN3CCCCC3)cc2=O)cc1
InChIInChI=1S/C21H26N2O5/c1-26-17-7-5-16(6-8-17)12-22-21(25)15-28-20-14-27-18(11-19(20)24)13-23-9-3-2-4-10-23/h5-8,11,14H,2-4,9-10,12-13,15H2,1H3,(H,22,25)
InChIKeyYNLULYAYEHADFX-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.33
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxyacetamide

N-[(4-methoxyphenyl)methyl]-2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxyacetamide (PubChem CID 51044682) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxyacetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxyacetamide
PubChem CID51044682
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxyacetamide
SMILESCOc1ccc(CNC(=O)COc2coc(CN3CCCCC3)cc2=O)cc1
InChIInChI=1S/C21H26N2O5/c1-26-17-7-5-16(6-8-17)12-22-21(25)15-28-20-14-27-18(11-19(20)24)13-23-9-3-2-4-10-23/h5-8,11,14H,2-4,9-10,12-13,15H2,1H3,(H,22,25)
InChIKeyYNLULYAYEHADFX-UHFFFAOYSA-N
XLogP2.33
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(azepan-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-[(3-fluorophenyl)methyl]acetamide
CID 71707658
N-[(4-fluorophenyl)methyl]-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
CID 71829044
2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxy-N-(2-phenylethyl)acetamide
CID 51043639
2-[6-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-oxopyran-3-yl]oxy-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 51052335
N-(2,5-dimethoxyphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
CID 51053797
N-[4-[2-[6-(azepan-1-ylmethyl)-4-oxopyran-3-yl]oxyacetyl]phenyl]acetamide
CID 71700457
2-(4-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 38743222
2-(4-methoxyphenoxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8969090
2-(4-bromo-3,5-dimethylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767841
2-(4-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8544780
2-(4-bromo-2-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767851
5-[2-(azepan-1-yl)-2-oxoethoxy]-2-[(4-benzylpiperazin-1-yl)methyl]pyran-4-one
CID 18575649

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxyacetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxyacetamide (CID 51044682) is N-[(4-methoxyphenyl)methyl]-2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxyacetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxyacetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxyacetamide is COc1ccc(CNC(=O)COc2coc(CN3CCCCC3)cc2=O)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxyacetamide?
The InChIKey is YNLULYAYEHADFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-26-17-7-5-16(6-8-17)12-22-21(25)15-28-20-14-27-18(11-19(20)24)13-23-9-3-2-4-10-23/h5-8,11,14H,2-4,9-10,12-13,15H2,1H3,(H,22,25).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxyacetamide?
N-[(4-methoxyphenyl)methyl]-2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxyacetamide has a molecular weight of 386.45 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxyacetamide is sourced from PubChem (CID 51044682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).