2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide

C15H22N2O3 — CID 121141493

IUPAC2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
SMILESCOCC(=O)Nc1ccc(N2CCCC(OC)C2)cc1
InChIInChI=1S/C15H22N2O3/c1-19-11-15(18)16-12-5-7-13(8-6-12)17-9-3-4-14(10-17)20-2/h5-8,14H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKeyZFRLZETYQOEJEY-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.89
Rot. Bonds5

About 2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide

2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide (PubChem CID 121141493) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
PubChem CID121141493
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
SMILESCOCC(=O)Nc1ccc(N2CCCC(OC)C2)cc1
InChIInChI=1S/C15H22N2O3/c1-19-11-15(18)16-12-5-7-13(8-6-12)17-9-3-4-14(10-17)20-2/h5-8,14H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKeyZFRLZETYQOEJEY-UHFFFAOYSA-N
XLogP1.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide (CID 121141493) is 2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide is COCC(=O)Nc1ccc(N2CCCC(OC)C2)cc1.
What is the InChIKey of 2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide?
The InChIKey is ZFRLZETYQOEJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-11-15(18)16-12-5-7-13(8-6-12)17-9-3-4-14(10-17)20-2/h5-8,14H,3-4,9-11H2,1-2H3,(H,16,18).
What are the key properties of 2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide?
2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide has a molecular weight of 278.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 121141493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).