N-(4-amino-1-methoxypiperidin-4-yl)-N-(oxolan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide

C22H35N3O3 — CID 66587918

IUPACN-(4-amino-1-methoxypiperidin-4-yl)-N-(oxolan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide
SMILESCON1CCC(N)(N(CC2CCCO2)C(=O)Cc2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C22H35N3O3/c1-16-12-17(2)20(18(3)13-16)14-21(26)25(15-19-6-5-11-28-19)22(23)7-9-24(27-4)10-8-22/h12-13,19H,5-11,14-15,23H2,1-4H3
InChIKeyGSOFQVQLJUJDRY-UHFFFAOYSA-N
MW389.54 g/mol
LogP2.47
Rot. Bonds6

About N-(4-amino-1-methoxypiperidin-4-yl)-N-(oxolan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide

N-(4-amino-1-methoxypiperidin-4-yl)-N-(oxolan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide (PubChem CID 66587918) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-(4-amino-1-methoxypiperidin-4-yl)-N-(oxolan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-1-methoxypiperidin-4-yl)-N-(oxolan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide
PubChem CID66587918
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC NameN-(4-amino-1-methoxypiperidin-4-yl)-N-(oxolan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide
SMILESCON1CCC(N)(N(CC2CCCO2)C(=O)Cc2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C22H35N3O3/c1-16-12-17(2)20(18(3)13-16)14-21(26)25(15-19-6-5-11-28-19)22(23)7-9-24(27-4)10-8-22/h12-13,19H,5-11,14-15,23H2,1-4H3
InChIKeyGSOFQVQLJUJDRY-UHFFFAOYSA-N
XLogP2.47
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(4-amino-1-methoxypiperidin-4-yl)-N-(oxolan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-methoxypiperidin-4-yl)-N-(oxolan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of N-(4-amino-1-methoxypiperidin-4-yl)-N-(oxolan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide (CID 66587918) is N-(4-amino-1-methoxypiperidin-4-yl)-N-(oxolan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for N-(4-amino-1-methoxypiperidin-4-yl)-N-(oxolan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for N-(4-amino-1-methoxypiperidin-4-yl)-N-(oxolan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide is CON1CCC(N)(N(CC2CCCO2)C(=O)Cc2c(C)cc(C)cc2C)CC1.
What is the InChIKey of N-(4-amino-1-methoxypiperidin-4-yl)-N-(oxolan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is GSOFQVQLJUJDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-16-12-17(2)20(18(3)13-16)14-21(26)25(15-19-6-5-11-28-19)22(23)7-9-24(27-4)10-8-22/h12-13,19H,5-11,14-15,23H2,1-4H3.
What are the key properties of N-(4-amino-1-methoxypiperidin-4-yl)-N-(oxolan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide?
N-(4-amino-1-methoxypiperidin-4-yl)-N-(oxolan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 389.54 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-methoxypiperidin-4-yl)-N-(oxolan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 66587918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).