N-[2-(4-aminopiperidin-1-yl)-4-methylquinazolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide

C23H24F3N5O3 — CID 11662906

IUPACN-[2-(4-aminopiperidin-1-yl)-4-methylquinazolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
SMILESCc1nc(N2CCC(N)CC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12
InChIInChI=1S/C23H24F3N5O3/c1-14-19-12-16(2-7-20(19)30-22(28-14)31-10-8-15(27)9-11-31)29-21(32)13-33-17-3-5-18(6-4-17)34-23(24,25)26/h2-7,12,15H,8-11,13,27H2,1H3,(H,29,32)
InChIKeyKAHBEUKJRZVFSH-UHFFFAOYSA-N
MW475.47 g/mol
LogP3.78
Rot. Bonds6

About N-[2-(4-aminopiperidin-1-yl)-4-methylquinazolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide

N-[2-(4-aminopiperidin-1-yl)-4-methylquinazolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide (PubChem CID 11662906) has the molecular formula C23H24F3N5O3 and a molecular weight of 475.47 g/mol. Its IUPAC name is N-[2-(4-aminopiperidin-1-yl)-4-methylquinazolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(4-aminopiperidin-1-yl)-4-methylquinazolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
PubChem CID11662906
Molecular FormulaC23H24F3N5O3
Molecular Weight475.47 g/mol
Exact Mass475.18
IUPAC NameN-[2-(4-aminopiperidin-1-yl)-4-methylquinazolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
SMILESCc1nc(N2CCC(N)CC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12
InChIInChI=1S/C23H24F3N5O3/c1-14-19-12-16(2-7-20(19)30-22(28-14)31-10-8-15(27)9-11-31)29-21(32)13-33-17-3-5-18(6-4-17)34-23(24,25)26/h2-7,12,15H,8-11,13,27H2,1H3,(H,29,32)
InChIKeyKAHBEUKJRZVFSH-UHFFFAOYSA-N
XLogP3.78
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-(4-aminopiperidin-1-yl)-4-methylquinazolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]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-[2-(4-aminopiperidin-1-yl)-4-methylquinazolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide?
The IUPAC name of N-[2-(4-aminopiperidin-1-yl)-4-methylquinazolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide (CID 11662906) is N-[2-(4-aminopiperidin-1-yl)-4-methylquinazolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide.
What is the SMILES notation for N-[2-(4-aminopiperidin-1-yl)-4-methylquinazolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide?
The canonical SMILES for N-[2-(4-aminopiperidin-1-yl)-4-methylquinazolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide is Cc1nc(N2CCC(N)CC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12.
What is the InChIKey of N-[2-(4-aminopiperidin-1-yl)-4-methylquinazolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide?
The InChIKey is KAHBEUKJRZVFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O3/c1-14-19-12-16(2-7-20(19)30-22(28-14)31-10-8-15(27)9-11-31)29-21(32)13-33-17-3-5-18(6-4-17)34-23(24,25)26/h2-7,12,15H,8-11,13,27H2,1H3,(H,29,32).
What are the key properties of N-[2-(4-aminopiperidin-1-yl)-4-methylquinazolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide?
N-[2-(4-aminopiperidin-1-yl)-4-methylquinazolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide has a molecular weight of 475.47 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopiperidin-1-yl)-4-methylquinazolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide is sourced from PubChem (CID 11662906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).