1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide

C24H24F4N4O2 — CID 166627743

IUPAC1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide
SMILESCOc1ccc2nccc(NC(=O)C3CCN(CCc4ccc(C(F)(F)F)c(F)c4)CC3)c2n1
InChIInChI=1S/C24H24F4N4O2/c1-34-21-5-4-19-22(31-21)20(6-10-29-19)30-23(33)16-8-12-32(13-9-16)11-7-15-2-3-17(18(25)14-15)24(26,27)28/h2-6,10,14,16H,7-9,11-13H2,1H3,(H,29,30,33)
InChIKeyYCLGINKBBLCODJ-UHFFFAOYSA-N
MW476.47 g/mol
LogP4.69
Rot. Bonds6

About 1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide

1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide (PubChem CID 166627743) has the molecular formula C24H24F4N4O2 and a molecular weight of 476.47 g/mol. Its IUPAC name is 1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide
PubChem CID166627743
Molecular FormulaC24H24F4N4O2
Molecular Weight476.47 g/mol
Exact Mass476.18
IUPAC Name1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide
SMILESCOc1ccc2nccc(NC(=O)C3CCN(CCc4ccc(C(F)(F)F)c(F)c4)CC3)c2n1
InChIInChI=1S/C24H24F4N4O2/c1-34-21-5-4-19-22(31-21)20(6-10-29-19)30-23(33)16-8-12-32(13-9-16)11-7-15-2-3-17(18(25)14-15)24(26,27)28/h2-6,10,14,16H,7-9,11-13H2,1H3,(H,29,30,33)
InChIKeyYCLGINKBBLCODJ-UHFFFAOYSA-N
XLogP4.69
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide (CID 166627743) is 1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide is COc1ccc2nccc(NC(=O)C3CCN(CCc4ccc(C(F)(F)F)c(F)c4)CC3)c2n1.
What is the InChIKey of 1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide?
The InChIKey is YCLGINKBBLCODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N4O2/c1-34-21-5-4-19-22(31-21)20(6-10-29-19)30-23(33)16-8-12-32(13-9-16)11-7-15-2-3-17(18(25)14-15)24(26,27)28/h2-6,10,14,16H,7-9,11-13H2,1H3,(H,29,30,33).
What are the key properties of 1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide?
1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide has a molecular weight of 476.47 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 166627743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).