2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxy-N-(2-phenylethyl)acetamide

C21H26N2O4 — CID 51043639

IUPAC2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxy-N-(2-phenylethyl)acetamide
SMILESO=C(COc1coc(CN2CCCCC2)cc1=O)NCCc1ccccc1
InChIInChI=1S/C21H26N2O4/c24-19-13-18(14-23-11-5-2-6-12-23)26-15-20(19)27-16-21(25)22-10-9-17-7-3-1-4-8-17/h1,3-4,7-8,13,15H,2,5-6,9-12,14,16H2,(H,22,25)
InChIKeyUEGKQMWKRDMFBR-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.36
Rot. Bonds8

About 2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxy-N-(2-phenylethyl)acetamide

2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxy-N-(2-phenylethyl)acetamide (PubChem CID 51043639) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxy-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxy-N-(2-phenylethyl)acetamide
PubChem CID51043639
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxy-N-(2-phenylethyl)acetamide
SMILESO=C(COc1coc(CN2CCCCC2)cc1=O)NCCc1ccccc1
InChIInChI=1S/C21H26N2O4/c24-19-13-18(14-23-11-5-2-6-12-23)26-15-20(19)27-16-21(25)22-10-9-17-7-3-1-4-8-17/h1,3-4,7-8,13,15H,2,5-6,9-12,14,16H2,(H,22,25)
InChIKeyUEGKQMWKRDMFBR-UHFFFAOYSA-N
XLogP2.36
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(azepan-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-[(3-fluorophenyl)methyl]acetamide
CID 71707658
5-[2-(azepan-1-yl)-2-oxoethoxy]-2-[(4-benzylpiperazin-1-yl)methyl]pyran-4-one
CID 18575649
2-[(4-benzylpiperazin-1-yl)methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one
CID 7292891
N-[(4-methoxyphenyl)methyl]-2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxyacetamide
CID 51044682
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
2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-(3-methylphenyl)acetamide
CID 18575664
N-[4-[2-[6-(azepan-1-ylmethyl)-4-oxopyran-3-yl]oxyacetyl]phenyl]acetamide
CID 71700457
N-[(4-fluorophenyl)methyl]-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
CID 71829044
5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]-2-(piperidin-1-ylmethyl)pyran-4-one
CID 71703323
N-cyclohexyl-2-[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
CID 7292933
2-[6-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide
CID 18575698
2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-prop-2-enylacetamide
CID 7178584

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxy-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxy-N-(2-phenylethyl)acetamide (CID 51043639) is 2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxy-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxy-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxy-N-(2-phenylethyl)acetamide is O=C(COc1coc(CN2CCCCC2)cc1=O)NCCc1ccccc1.
What is the InChIKey of 2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxy-N-(2-phenylethyl)acetamide?
The InChIKey is UEGKQMWKRDMFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c24-19-13-18(14-23-11-5-2-6-12-23)26-15-20(19)27-16-21(25)22-10-9-17-7-3-1-4-8-17/h1,3-4,7-8,13,15H,2,5-6,9-12,14,16H2,(H,22,25).
What are the key properties of 2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxy-N-(2-phenylethyl)acetamide?
2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxy-N-(2-phenylethyl)acetamide has a molecular weight of 370.45 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxy-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 51043639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).