N-[4-(cyanomethoxy)naphthalen-1-yl]-3-fluoro-5-(4-methylpiperidin-1-yl)benzamide

C25H24FN3O2 — CID 59553169

IUPACN-[4-(cyanomethoxy)naphthalen-1-yl]-3-fluoro-5-(4-methylpiperidin-1-yl)benzamide
SMILESCC1CCN(c2cc(F)cc(C(=O)Nc3ccc(OCC#N)c4ccccc34)c2)CC1
InChIInChI=1S/C25H24FN3O2/c1-17-8-11-29(12-9-17)20-15-18(14-19(26)16-20)25(30)28-23-6-7-24(31-13-10-27)22-5-3-2-4-21(22)23/h2-7,14-17H,8-9,11-13H2,1H3,(H,28,30)
InChIKeyBRXCQFJQKFFKQQ-UHFFFAOYSA-N
MW417.48 g/mol
LogP5.37
Rot. Bonds5

About N-[4-(cyanomethoxy)naphthalen-1-yl]-3-fluoro-5-(4-methylpiperidin-1-yl)benzamide

N-[4-(cyanomethoxy)naphthalen-1-yl]-3-fluoro-5-(4-methylpiperidin-1-yl)benzamide (PubChem CID 59553169) has the molecular formula C25H24FN3O2 and a molecular weight of 417.48 g/mol. Its IUPAC name is N-[4-(cyanomethoxy)naphthalen-1-yl]-3-fluoro-5-(4-methylpiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(cyanomethoxy)naphthalen-1-yl]-3-fluoro-5-(4-methylpiperidin-1-yl)benzamide
PubChem CID59553169
Molecular FormulaC25H24FN3O2
Molecular Weight417.48 g/mol
Exact Mass417.19
IUPAC NameN-[4-(cyanomethoxy)naphthalen-1-yl]-3-fluoro-5-(4-methylpiperidin-1-yl)benzamide
SMILESCC1CCN(c2cc(F)cc(C(=O)Nc3ccc(OCC#N)c4ccccc34)c2)CC1
InChIInChI=1S/C25H24FN3O2/c1-17-8-11-29(12-9-17)20-15-18(14-19(26)16-20)25(30)28-23-6-7-24(31-13-10-27)22-5-3-2-4-21(22)23/h2-7,14-17H,8-9,11-13H2,1H3,(H,28,30)
InChIKeyBRXCQFJQKFFKQQ-UHFFFAOYSA-N
XLogP5.37
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.48
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-5-(4-methylpiperidin-1-yl)-N-[4-[(5-oxo-4-phenyl-1,4-dihydropyrazol-3-yl)methoxy]naphthalen-1-yl]benzamide
CID 59614450
N-[4-[2-(3,4-dimethylphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide
CID 59553109
3-fluoro-N-[4-(3-morpholin-4-ylpropoxy)naphthalen-1-yl]-5-piperidin-1-ylbenzamide
CID 59553166
dipotassium;2-(4-aminonaphthalen-1-yl)oxyacetonitrile;bromo(isocyano)methane;tert-butyl N-[4-(cyanomethoxy)naphthalen-1-yl]carbamate;tert-butyl N-(4-hydroxynaphthalen-1-yl)carbamate;N-[4-(cyanomethoxy)naphthalen-1-yl]-3-fluoro-5-(4-methylpiperidin-1-yl)benzamide;3-fluoro-5-(4-methylpiperidin-1-yl)benzoic acid;3-fluoro-5-(4-methylpiperidin-1-yl)-N-[4-(2H-tetrazol-5-ylmethoxy)naphthalen-1-yl]benzamide;hydride;methane;oxido formate
CID 159789974
3-fluoro-5-morpholin-4-yl-N-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]naphthalen-1-yl]benzamide
CID 59553278
3-fluoro-N-[4-[2-[methyl(prop-2-ynyl)amino]pyrimidin-4-yl]oxynaphthalen-1-yl]-5-piperidin-1-ylbenzamide
CID 59553122
3-fluoro-N-[4-(2-methylsulfanylpyrimidin-4-yl)oxynaphthalen-1-yl]-5-pyrrolidin-1-ylbenzamide
CID 59553205
N-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide
CID 59553103
carbon dioxide;N-[4-[2-[(1-ethylpiperidin-4-yl)amino]pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide
CID 159743176
N-[4-[[(E)-[[carbamimidoyl(methyl)amino]-[(Z)-ethylideneamino]methylidene]amino]methoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide
CID 143171312
3-fluoro-N-[4-(2-methylsulfonylpyrimidin-4-yl)oxynaphthalen-1-yl]-5-morpholin-4-ylbenzamide
CID 59553095
3-fluoro-N-[4-[2-[[(2S)-oxolan-2-yl]methylamino]pyrimidin-4-yl]oxynaphthalen-1-yl]-5-piperidin-1-ylbenzamide
CID 59614465

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethoxy)naphthalen-1-yl]-3-fluoro-5-(4-methylpiperidin-1-yl)benzamide?
The IUPAC name of N-[4-(cyanomethoxy)naphthalen-1-yl]-3-fluoro-5-(4-methylpiperidin-1-yl)benzamide (CID 59553169) is N-[4-(cyanomethoxy)naphthalen-1-yl]-3-fluoro-5-(4-methylpiperidin-1-yl)benzamide.
What is the SMILES notation for N-[4-(cyanomethoxy)naphthalen-1-yl]-3-fluoro-5-(4-methylpiperidin-1-yl)benzamide?
The canonical SMILES for N-[4-(cyanomethoxy)naphthalen-1-yl]-3-fluoro-5-(4-methylpiperidin-1-yl)benzamide is CC1CCN(c2cc(F)cc(C(=O)Nc3ccc(OCC#N)c4ccccc34)c2)CC1.
What is the InChIKey of N-[4-(cyanomethoxy)naphthalen-1-yl]-3-fluoro-5-(4-methylpiperidin-1-yl)benzamide?
The InChIKey is BRXCQFJQKFFKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O2/c1-17-8-11-29(12-9-17)20-15-18(14-19(26)16-20)25(30)28-23-6-7-24(31-13-10-27)22-5-3-2-4-21(22)23/h2-7,14-17H,8-9,11-13H2,1H3,(H,28,30).
What are the key properties of N-[4-(cyanomethoxy)naphthalen-1-yl]-3-fluoro-5-(4-methylpiperidin-1-yl)benzamide?
N-[4-(cyanomethoxy)naphthalen-1-yl]-3-fluoro-5-(4-methylpiperidin-1-yl)benzamide has a molecular weight of 417.48 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethoxy)naphthalen-1-yl]-3-fluoro-5-(4-methylpiperidin-1-yl)benzamide is sourced from PubChem (CID 59553169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).