2-(4-formyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide

C21H24N2O4 — CID 26654844

IUPAC2-(4-formyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCOc1cc(C=O)ccc1OCC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H24N2O4/c1-26-20-13-16(14-24)5-10-19(20)27-15-21(25)22-17-6-8-18(9-7-17)23-11-3-2-4-12-23/h5-10,13-14H,2-4,11-12,15H2,1H3,(H,22,25)
InChIKeyKMYBZJZBJOXICQ-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.52
Rot. Bonds7

About 2-(4-formyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide

2-(4-formyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 26654844) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-(4-formyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-formyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID26654844
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-(4-formyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCOc1cc(C=O)ccc1OCC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H24N2O4/c1-26-20-13-16(14-24)5-10-19(20)27-15-21(25)22-17-6-8-18(9-7-17)23-11-3-2-4-12-23/h5-10,13-14H,2-4,11-12,15H2,1H3,(H,22,25)
InChIKeyKMYBZJZBJOXICQ-UHFFFAOYSA-N
XLogP3.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[2-methoxy-4-[(E)-3-oxo-3-(4-piperidin-1-ylphenyl)prop-1-enyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 19560966
2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 9078575
2-(2,6-dimethoxy-4-methylphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 7550487
2-(4-formyl-2-methoxyphenoxy)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 9468345
N-[4-(azepan-1-yl)phenyl]-2-(2-formylphenoxy)acetamide
CID 9009767
N-(4-bromophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611543
2-(4-formyl-2-methoxyphenoxy)-N-(4-phenyldiazenylphenyl)acetamide
CID 7894150
2-(4-formyl-2-methoxyphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26459128
2-(5-formyl-2-methoxyphenoxy)-N-phenylacetamide
CID 7611771
2-(2-ethoxy-4-formylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 78812646
N-[4-(azepan-1-yl)phenyl]-2-(2-formyl-4-nitrophenoxy)acetamide
CID 8808920
[2-[4-(azepan-1-yl)anilino]-2-oxoethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 9200387

Frequently Asked Questions

What is the IUPAC name of 2-(4-formyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(4-formyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide (CID 26654844) is 2-(4-formyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-formyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(4-formyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide is COc1cc(C=O)ccc1OCC(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-(4-formyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is KMYBZJZBJOXICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-26-20-13-16(14-24)5-10-19(20)27-15-21(25)22-17-6-8-18(9-7-17)23-11-3-2-4-12-23/h5-10,13-14H,2-4,11-12,15H2,1H3,(H,22,25).
What are the key properties of 2-(4-formyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide?
2-(4-formyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 368.43 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 26654844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).