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

C24H25F3N4O3 — CID 10027853

IUPACN-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
SMILESCc1cc(N2CCC(N)CC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12
InChIInChI=1S/C24H25F3N4O3/c1-15-12-22(31-10-8-16(28)9-11-31)30-21-7-2-17(13-20(15)21)29-23(32)14-33-18-3-5-19(6-4-18)34-24(25,26)27/h2-7,12-13,16H,8-11,14,28H2,1H3,(H,29,32)
InChIKeyBEVTZBDUQNCQFB-UHFFFAOYSA-N
MW474.48 g/mol
LogP4.39
Rot. Bonds6

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

N-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide (PubChem CID 10027853) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is N-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
PubChem CID10027853
Molecular FormulaC24H25F3N4O3
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC NameN-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
SMILESCc1cc(N2CCC(N)CC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12
InChIInChI=1S/C24H25F3N4O3/c1-15-12-22(31-10-8-16(28)9-11-31)30-21-7-2-17(13-20(15)21)29-23(32)14-33-18-3-5-19(6-4-18)34-24(25,26)27/h2-7,12-13,16H,8-11,14,28H2,1H3,(H,29,32)
InChIKeyBEVTZBDUQNCQFB-UHFFFAOYSA-N
XLogP4.39
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide?
The IUPAC name of N-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide (CID 10027853) is N-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide.
What is the SMILES notation for N-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide?
The canonical SMILES for N-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide is Cc1cc(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-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide?
The InChIKey is BEVTZBDUQNCQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O3/c1-15-12-22(31-10-8-16(28)9-11-31)30-21-7-2-17(13-20(15)21)29-23(32)14-33-18-3-5-19(6-4-18)34-24(25,26)27/h2-7,12-13,16H,8-11,14,28H2,1H3,(H,29,32).
What are the key properties of N-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide?
N-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide has a molecular weight of 474.48 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide is sourced from PubChem (CID 10027853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).