2-(4-hydroxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]propanamide

C21H24N2O7 — CID 108551157

IUPAC2-(4-hydroxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]propanamide
SMILESCC(Oc1ccc(O)cc1)C(=O)NC1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1
InChIInChI=1S/C21H24N2O7/c1-12(30-16-4-2-15(24)3-5-16)20(28)22-14-6-8-23(9-7-14)21(29)13-10-17(25)19(27)18(26)11-13/h2-5,10-12,14,24-27H,6-9H2,1H3,(H,22,28)
InChIKeyHFVDLQKTTDZWIH-UHFFFAOYSA-N
MW416.43 g/mol
LogP1.70
Rot. Bonds5

About 2-(4-hydroxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]propanamide

2-(4-hydroxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]propanamide (PubChem CID 108551157) has the molecular formula C21H24N2O7 and a molecular weight of 416.43 g/mol. Its IUPAC name is 2-(4-hydroxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-(4-hydroxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]propanamide
PubChem CID108551157
Molecular FormulaC21H24N2O7
Molecular Weight416.43 g/mol
Exact Mass416.16
IUPAC Name2-(4-hydroxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]propanamide
SMILESCC(Oc1ccc(O)cc1)C(=O)NC1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1
InChIInChI=1S/C21H24N2O7/c1-12(30-16-4-2-15(24)3-5-16)20(28)22-14-6-8-23(9-7-14)21(29)13-10-17(25)19(27)18(26)11-13/h2-5,10-12,14,24-27H,6-9H2,1H3,(H,22,28)
InChIKeyHFVDLQKTTDZWIH-UHFFFAOYSA-N
XLogP1.70
TPSA139.56 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 51.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108551143
2-(4-hydroxyphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
CID 108551204
2-(4-hydroxyphenoxy)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]propanamide
CID 108560077
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108551131
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108551181
2-(4-hydroxyphenoxy)-N-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]propanamide
CID 108560056
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-chlorophenoxy)propanamide
CID 108553149
N-[1-(3-chloropropanoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108560062
2-(4-hydroxyphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 108560076
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108553309
2-(4-chlorophenoxy)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 55703255
N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-3,4-dimethylbenzamide
CID 108557567

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-(4-hydroxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]propanamide (CID 108551157) is 2-(4-hydroxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-(4-hydroxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-(4-hydroxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]propanamide is CC(Oc1ccc(O)cc1)C(=O)NC1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1.
What is the InChIKey of 2-(4-hydroxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]propanamide?
The InChIKey is HFVDLQKTTDZWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O7/c1-12(30-16-4-2-15(24)3-5-16)20(28)22-14-6-8-23(9-7-14)21(29)13-10-17(25)19(27)18(26)11-13/h2-5,10-12,14,24-27H,6-9H2,1H3,(H,22,28).
What are the key properties of 2-(4-hydroxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]propanamide?
2-(4-hydroxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]propanamide has a molecular weight of 416.43 g/mol, XLogP of 1.70, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 108551157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).