N-[4-[2-(3,4-dimethylphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide

C32H33FN2O2 — CID 59553109

IUPACN-[4-[2-(3,4-dimethylphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide
SMILESCc1ccc(CCOc2ccc(NC(=O)c3cc(F)cc(N4CCCCC4)c3)c3ccccc23)cc1C
InChIInChI=1S/C32H33FN2O2/c1-22-10-11-24(18-23(22)2)14-17-37-31-13-12-30(28-8-4-5-9-29(28)31)34-32(36)25-19-26(33)21-27(20-25)35-15-6-3-7-16-35/h4-5,8-13,18-21H,3,6-7,14-17H2,1-2H3,(H,34,36)
InChIKeyRCJBONQOCOAELM-UHFFFAOYSA-N
MW496.63 g/mol
LogP7.46
Rot. Bonds7

About N-[4-[2-(3,4-dimethylphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide

N-[4-[2-(3,4-dimethylphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide (PubChem CID 59553109) has the molecular formula C32H33FN2O2 and a molecular weight of 496.63 g/mol. Its IUPAC name is N-[4-[2-(3,4-dimethylphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[4-[2-(3,4-dimethylphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide
PubChem CID59553109
Molecular FormulaC32H33FN2O2
Molecular Weight496.63 g/mol
Exact Mass496.25
IUPAC NameN-[4-[2-(3,4-dimethylphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide
SMILESCc1ccc(CCOc2ccc(NC(=O)c3cc(F)cc(N4CCCCC4)c3)c3ccccc23)cc1C
InChIInChI=1S/C32H33FN2O2/c1-22-10-11-24(18-23(22)2)14-17-37-31-13-12-30(28-8-4-5-9-29(28)31)34-32(36)25-19-26(33)21-27(20-25)35-15-6-3-7-16-35/h4-5,8-13,18-21H,3,6-7,14-17H2,1-2H3,(H,34,36)
InChIKeyRCJBONQOCOAELM-UHFFFAOYSA-N
XLogP7.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.63
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[4-(3-morpholin-4-ylpropoxy)naphthalen-1-yl]-5-piperidin-1-ylbenzamide
CID 59553166
3-fluoro-N-[4-(2-methylsulfanylpyrimidin-4-yl)oxynaphthalen-1-yl]-5-pyrrolidin-1-ylbenzamide
CID 59553205
N-[4-(cyanomethoxy)naphthalen-1-yl]-3-fluoro-5-(4-methylpiperidin-1-yl)benzamide
CID 59553169
3-fluoro-5-morpholin-4-yl-N-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]naphthalen-1-yl]benzamide
CID 59553278
3-fluoro-5-piperidin-1-yl-N-[4-[2-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]benzamide
CID 59553272
3-fluoro-N-[4-[2-[methyl(prop-2-ynyl)amino]pyrimidin-4-yl]oxynaphthalen-1-yl]-5-piperidin-1-ylbenzamide
CID 59553122
ethyl 4-[4-[4-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]naphthalen-1-yl]oxypyrimidin-2-yl]piperazine-1-carboxylate
CID 59553386
[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl] 3-fluoro-5-piperidin-1-ylbenzoate
CID 90735872
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-[[(2S)-oxolan-2-yl]methylamino]pyrimidin-4-yl]oxynaphthalen-1-yl]-5-piperidin-1-ylbenzamide
CID 59614465
N-[4-[2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide
CID 59660578
N-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide
CID 59553103

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3,4-dimethylphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide?
The IUPAC name of N-[4-[2-(3,4-dimethylphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide (CID 59553109) is N-[4-[2-(3,4-dimethylphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[4-[2-(3,4-dimethylphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide?
The canonical SMILES for N-[4-[2-(3,4-dimethylphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide is Cc1ccc(CCOc2ccc(NC(=O)c3cc(F)cc(N4CCCCC4)c3)c3ccccc23)cc1C.
What is the InChIKey of N-[4-[2-(3,4-dimethylphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide?
The InChIKey is RCJBONQOCOAELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN2O2/c1-22-10-11-24(18-23(22)2)14-17-37-31-13-12-30(28-8-4-5-9-29(28)31)34-32(36)25-19-26(33)21-27(20-25)35-15-6-3-7-16-35/h4-5,8-13,18-21H,3,6-7,14-17H2,1-2H3,(H,34,36).
What are the key properties of N-[4-[2-(3,4-dimethylphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide?
N-[4-[2-(3,4-dimethylphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide has a molecular weight of 496.63 g/mol, XLogP of 7.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3,4-dimethylphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide is sourced from PubChem (CID 59553109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).