N-(4-formyl-1-methoxypiperidin-4-yl)-N-(1-methoxypiperidin-4-yl)oxy-2-(2,4,6-trimethylphenyl)acetamide

C24H37N3O5 — CID 130238753

IUPACN-(4-formyl-1-methoxypiperidin-4-yl)-N-(1-methoxypiperidin-4-yl)oxy-2-(2,4,6-trimethylphenyl)acetamide
SMILESCON1CCC(ON(C(=O)Cc2c(C)cc(C)cc2C)C2(C=O)CCN(OC)CC2)CC1
InChIInChI=1S/C24H37N3O5/c1-18-14-19(2)22(20(3)15-18)16-23(29)27(32-21-6-10-25(30-4)11-7-21)24(17-28)8-12-26(31-5)13-9-24/h14-15,17,21H,6-13,16H2,1-5H3
InChIKeyRYQZQKYYNSZURC-UHFFFAOYSA-N
MW447.58 g/mol
LogP2.54
Rot. Bonds8

About N-(4-formyl-1-methoxypiperidin-4-yl)-N-(1-methoxypiperidin-4-yl)oxy-2-(2,4,6-trimethylphenyl)acetamide

N-(4-formyl-1-methoxypiperidin-4-yl)-N-(1-methoxypiperidin-4-yl)oxy-2-(2,4,6-trimethylphenyl)acetamide (PubChem CID 130238753) has the molecular formula C24H37N3O5 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-(4-formyl-1-methoxypiperidin-4-yl)-N-(1-methoxypiperidin-4-yl)oxy-2-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-formyl-1-methoxypiperidin-4-yl)-N-(1-methoxypiperidin-4-yl)oxy-2-(2,4,6-trimethylphenyl)acetamide
PubChem CID130238753
Molecular FormulaC24H37N3O5
Molecular Weight447.58 g/mol
Exact Mass447.27
IUPAC NameN-(4-formyl-1-methoxypiperidin-4-yl)-N-(1-methoxypiperidin-4-yl)oxy-2-(2,4,6-trimethylphenyl)acetamide
SMILESCON1CCC(ON(C(=O)Cc2c(C)cc(C)cc2C)C2(C=O)CCN(OC)CC2)CC1
InChIInChI=1S/C24H37N3O5/c1-18-14-19(2)22(20(3)15-18)16-23(29)27(32-21-6-10-25(30-4)11-7-21)24(17-28)8-12-26(31-5)13-9-24/h14-15,17,21H,6-13,16H2,1-5H3
InChIKeyRYQZQKYYNSZURC-UHFFFAOYSA-N
XLogP2.54
TPSA71.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-formyl-1-methoxypiperidin-4-yl)-N-(1-methoxypiperidin-4-yl)oxy-2-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of N-(4-formyl-1-methoxypiperidin-4-yl)-N-(1-methoxypiperidin-4-yl)oxy-2-(2,4,6-trimethylphenyl)acetamide (CID 130238753) is N-(4-formyl-1-methoxypiperidin-4-yl)-N-(1-methoxypiperidin-4-yl)oxy-2-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for N-(4-formyl-1-methoxypiperidin-4-yl)-N-(1-methoxypiperidin-4-yl)oxy-2-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for N-(4-formyl-1-methoxypiperidin-4-yl)-N-(1-methoxypiperidin-4-yl)oxy-2-(2,4,6-trimethylphenyl)acetamide is CON1CCC(ON(C(=O)Cc2c(C)cc(C)cc2C)C2(C=O)CCN(OC)CC2)CC1.
What is the InChIKey of N-(4-formyl-1-methoxypiperidin-4-yl)-N-(1-methoxypiperidin-4-yl)oxy-2-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is RYQZQKYYNSZURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O5/c1-18-14-19(2)22(20(3)15-18)16-23(29)27(32-21-6-10-25(30-4)11-7-21)24(17-28)8-12-26(31-5)13-9-24/h14-15,17,21H,6-13,16H2,1-5H3.
What are the key properties of N-(4-formyl-1-methoxypiperidin-4-yl)-N-(1-methoxypiperidin-4-yl)oxy-2-(2,4,6-trimethylphenyl)acetamide?
N-(4-formyl-1-methoxypiperidin-4-yl)-N-(1-methoxypiperidin-4-yl)oxy-2-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 447.58 g/mol, XLogP of 2.54, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formyl-1-methoxypiperidin-4-yl)-N-(1-methoxypiperidin-4-yl)oxy-2-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 130238753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).