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

C24H25F3N4O3 — CID 166629428

IUPACN-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxamide
SMILESCOc1ccc2nccc(NC(=O)C3CCN(CCc4ccc(OC(F)(F)F)cc4)CC3)c2n1
InChIInChI=1S/C24H25F3N4O3/c1-33-21-7-6-19-22(30-21)20(8-12-28-19)29-23(32)17-10-14-31(15-11-17)13-9-16-2-4-18(5-3-16)34-24(25,26)27/h2-8,12,17H,9-11,13-15H2,1H3,(H,28,29,32)
InChIKeyYNWMALZFFYZXLF-UHFFFAOYSA-N
MW474.48 g/mol
LogP4.43
Rot. Bonds7

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

N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxamide (PubChem CID 166629428) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxamide
PubChem CID166629428
Molecular FormulaC24H25F3N4O3
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC NameN-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxamide
SMILESCOc1ccc2nccc(NC(=O)C3CCN(CCc4ccc(OC(F)(F)F)cc4)CC3)c2n1
InChIInChI=1S/C24H25F3N4O3/c1-33-21-7-6-19-22(30-21)20(8-12-28-19)29-23(32)17-10-14-31(15-11-17)13-9-16-2-4-18(5-3-16)34-24(25,26)27/h2-8,12,17H,9-11,13-15H2,1H3,(H,28,29,32)
InChIKeyYNWMALZFFYZXLF-UHFFFAOYSA-N
XLogP4.43
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxypyrimidin-2-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]piperidine-4-carboxamide
CID 87032452
N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-oxo-2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxamide;oxalic acid
CID 131726283
[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-bis[4-(trifluoromethoxy)phenyl]methanol
CID 11837570
4-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
CID 10343587
4-methoxy-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 171998794
4-[2-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]ethyl]-N,N-dimethylaniline
CID 165017215
1-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 9442958
4-(heptylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide
CID 22244402
[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 134093506
[(2S)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoyl]morpholin-2-yl]methylcarbamic acid
CID 69444143
1-(2-phenylethyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479402
N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 16886954

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxamide?
The IUPAC name of N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxamide (CID 166629428) is N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxamide is COc1ccc2nccc(NC(=O)C3CCN(CCc4ccc(OC(F)(F)F)cc4)CC3)c2n1.
What is the InChIKey of N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxamide?
The InChIKey is YNWMALZFFYZXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O3/c1-33-21-7-6-19-22(30-21)20(8-12-28-19)29-23(32)17-10-14-31(15-11-17)13-9-16-2-4-18(5-3-16)34-24(25,26)27/h2-8,12,17H,9-11,13-15H2,1H3,(H,28,29,32).
What are the key properties of N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxamide?
N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxamide has a molecular weight of 474.48 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 166629428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).