N-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(3,3-dimethylpyrrolidin-1-yl)acetamide

C24H28F3N5O — CID 145336540

IUPACN-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(3,3-dimethylpyrrolidin-1-yl)acetamide
SMILESCC1(C)CCN(CC(=O)NC2CC(C(F)(F)F)CN(c3ccc(C#N)c4ncccc34)C2)C1
InChIInChI=1S/C24H28F3N5O/c1-23(2)7-9-31(15-23)14-21(33)30-18-10-17(24(25,26)27)12-32(13-18)20-6-5-16(11-28)22-19(20)4-3-8-29-22/h3-6,8,17-18H,7,9-10,12-15H2,1-2H3,(H,30,33)
InChIKeySQOORKNLTBRMCU-UHFFFAOYSA-N
MW459.52 g/mol
LogP3.71
Rot. Bonds4

About N-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(3,3-dimethylpyrrolidin-1-yl)acetamide

N-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(3,3-dimethylpyrrolidin-1-yl)acetamide (PubChem CID 145336540) has the molecular formula C24H28F3N5O and a molecular weight of 459.52 g/mol. Its IUPAC name is N-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(3,3-dimethylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(3,3-dimethylpyrrolidin-1-yl)acetamide
PubChem CID145336540
Molecular FormulaC24H28F3N5O
Molecular Weight459.52 g/mol
Exact Mass459.22
IUPAC NameN-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(3,3-dimethylpyrrolidin-1-yl)acetamide
SMILESCC1(C)CCN(CC(=O)NC2CC(C(F)(F)F)CN(c3ccc(C#N)c4ncccc34)C2)C1
InChIInChI=1S/C24H28F3N5O/c1-23(2)7-9-31(15-23)14-21(33)30-18-10-17(24(25,26)27)12-32(13-18)20-6-5-16(11-28)22-19(20)4-3-8-29-22/h3-6,8,17-18H,7,9-10,12-15H2,1-2H3,(H,30,33)
InChIKeySQOORKNLTBRMCU-UHFFFAOYSA-N
XLogP3.71
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(3,3-dimethylpyrrolidin-1-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 N-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(3,3-dimethylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(3,3-dimethylpyrrolidin-1-yl)acetamide (CID 145336540) is N-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(3,3-dimethylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(3,3-dimethylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(3,3-dimethylpyrrolidin-1-yl)acetamide is CC1(C)CCN(CC(=O)NC2CC(C(F)(F)F)CN(c3ccc(C#N)c4ncccc34)C2)C1.
What is the InChIKey of N-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(3,3-dimethylpyrrolidin-1-yl)acetamide?
The InChIKey is SQOORKNLTBRMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N5O/c1-23(2)7-9-31(15-23)14-21(33)30-18-10-17(24(25,26)27)12-32(13-18)20-6-5-16(11-28)22-19(20)4-3-8-29-22/h3-6,8,17-18H,7,9-10,12-15H2,1-2H3,(H,30,33).
What are the key properties of N-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(3,3-dimethylpyrrolidin-1-yl)acetamide?
N-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(3,3-dimethylpyrrolidin-1-yl)acetamide has a molecular weight of 459.52 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(3,3-dimethylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 145336540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).