N-(6-methoxy-1,5-naphthyridin-4-yl)-4-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide

C25H27F3N4O2 — CID 166629452

IUPACN-(6-methoxy-1,5-naphthyridin-4-yl)-4-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
SMILESCOc1ccc2nccc(NC(=O)C3(C)CCN(CCc4ccc(C(F)(F)F)cc4)CC3)c2n1
InChIInChI=1S/C25H27F3N4O2/c1-24(23(33)30-20-9-13-29-19-7-8-21(34-2)31-22(19)20)11-15-32(16-12-24)14-10-17-3-5-18(6-4-17)25(26,27)28/h3-9,13H,10-12,14-16H2,1-2H3,(H,29,30,33)
InChIKeyVSQIBXDZBCQBDN-UHFFFAOYSA-N
MW472.51 g/mol
LogP4.94
Rot. Bonds6

About N-(6-methoxy-1,5-naphthyridin-4-yl)-4-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide

N-(6-methoxy-1,5-naphthyridin-4-yl)-4-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide (PubChem CID 166629452) has the molecular formula C25H27F3N4O2 and a molecular weight of 472.51 g/mol. Its IUPAC name is N-(6-methoxy-1,5-naphthyridin-4-yl)-4-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-1,5-naphthyridin-4-yl)-4-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
PubChem CID166629452
Molecular FormulaC25H27F3N4O2
Molecular Weight472.51 g/mol
Exact Mass472.21
IUPAC NameN-(6-methoxy-1,5-naphthyridin-4-yl)-4-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
SMILESCOc1ccc2nccc(NC(=O)C3(C)CCN(CCc4ccc(C(F)(F)F)cc4)CC3)c2n1
InChIInChI=1S/C25H27F3N4O2/c1-24(23(33)30-20-9-13-29-19-7-8-21(34-2)31-22(19)20)11-15-32(16-12-24)14-10-17-3-5-18(6-4-17)25(26,27)28/h3-9,13H,10-12,14-16H2,1-2H3,(H,29,30,33)
InChIKeyVSQIBXDZBCQBDN-UHFFFAOYSA-N
XLogP4.94
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-methoxy-1,5-naphthyridin-4-yl)-4-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide 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-(6-methoxy-1,5-naphthyridin-4-yl)-4-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide?
The IUPAC name of N-(6-methoxy-1,5-naphthyridin-4-yl)-4-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide (CID 166629452) is N-(6-methoxy-1,5-naphthyridin-4-yl)-4-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(6-methoxy-1,5-naphthyridin-4-yl)-4-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(6-methoxy-1,5-naphthyridin-4-yl)-4-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide is COc1ccc2nccc(NC(=O)C3(C)CCN(CCc4ccc(C(F)(F)F)cc4)CC3)c2n1.
What is the InChIKey of N-(6-methoxy-1,5-naphthyridin-4-yl)-4-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide?
The InChIKey is VSQIBXDZBCQBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O2/c1-24(23(33)30-20-9-13-29-19-7-8-21(34-2)31-22(19)20)11-15-32(16-12-24)14-10-17-3-5-18(6-4-17)25(26,27)28/h3-9,13H,10-12,14-16H2,1-2H3,(H,29,30,33).
What are the key properties of N-(6-methoxy-1,5-naphthyridin-4-yl)-4-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide?
N-(6-methoxy-1,5-naphthyridin-4-yl)-4-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide has a molecular weight of 472.51 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,5-naphthyridin-4-yl)-4-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 166629452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).