2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide

C21H22N4O — CID 133355934

IUPAC2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide
SMILESNC(=O)CC1CCCN(c2nc(-c3ccccc3)nc3ccccc23)C1
InChIInChI=1S/C21H22N4O/c22-19(26)13-15-7-6-12-25(14-15)21-17-10-4-5-11-18(17)23-20(24-21)16-8-2-1-3-9-16/h1-5,8-11,15H,6-7,12-14H2,(H2,22,26)
InChIKeyLGEJDXVGMMXFRS-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.39
Rot. Bonds4

About 2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide

2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide (PubChem CID 133355934) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide
PubChem CID133355934
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide
SMILESNC(=O)CC1CCCN(c2nc(-c3ccccc3)nc3ccccc23)C1
InChIInChI=1S/C21H22N4O/c22-19(26)13-15-7-6-12-25(14-15)21-17-10-4-5-11-18(17)23-20(24-21)16-8-2-1-3-9-16/h1-5,8-11,15H,6-7,12-14H2,(H2,22,26)
InChIKeyLGEJDXVGMMXFRS-UHFFFAOYSA-N
XLogP3.39
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]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 2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide?
The IUPAC name of 2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide (CID 133355934) is 2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide is NC(=O)CC1CCCN(c2nc(-c3ccccc3)nc3ccccc23)C1.
What is the InChIKey of 2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide?
The InChIKey is LGEJDXVGMMXFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c22-19(26)13-15-7-6-12-25(14-15)21-17-10-4-5-11-18(17)23-20(24-21)16-8-2-1-3-9-16/h1-5,8-11,15H,6-7,12-14H2,(H2,22,26).
What are the key properties of 2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide?
2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide has a molecular weight of 346.43 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 133355934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).