N,N-diethyl-4-(N-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyanilino)benzamide

C30H36FN3O2 — CID 45486011

IUPACN,N-diethyl-4-(N-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyanilino)benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccccc3F)CC2)cc1
InChIInChI=1S/C30H36FN3O2/c1-3-33(4-2)30(36)24-12-14-25(15-13-24)34(27-9-7-10-28(35)22-27)26-17-20-32(21-18-26)19-16-23-8-5-6-11-29(23)31/h5-15,22,26,35H,3-4,16-21H2,1-2H3
InChIKeyFNPRFEGADGIAKY-UHFFFAOYSA-N
MW489.64 g/mol
LogP5.86
Rot. Bonds9

About N,N-diethyl-4-(N-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyanilino)benzamide

N,N-diethyl-4-(N-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyanilino)benzamide (PubChem CID 45486011) has the molecular formula C30H36FN3O2 and a molecular weight of 489.64 g/mol. Its IUPAC name is N,N-diethyl-4-(N-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyanilino)benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(N-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyanilino)benzamide
PubChem CID45486011
Molecular FormulaC30H36FN3O2
Molecular Weight489.64 g/mol
Exact Mass489.28
IUPAC NameN,N-diethyl-4-(N-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyanilino)benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccccc3F)CC2)cc1
InChIInChI=1S/C30H36FN3O2/c1-3-33(4-2)30(36)24-12-14-25(15-13-24)34(27-9-7-10-28(35)22-27)26-17-20-32(21-18-26)19-16-23-8-5-6-11-29(23)31/h5-15,22,26,35H,3-4,16-21H2,1-2H3
InChIKeyFNPRFEGADGIAKY-UHFFFAOYSA-N
XLogP5.86
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.64
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(+)-3-((alphaR)-alpha-((2S,5R)-4-Allyl-2,5-dimethyl-1-piperazinyl)-3-hydroxybenzyl)-N-(3-fluorophenyl)-N-methylbenzamide
CID 9826770
4-((1-benzylpiperidin-4-yl)(3-hydroxyphenyl)amino)-N,N-diethylbenzamide
CID 9911987
3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxy-phenyl)-methyl]-N-(2-fluoro-phenyl)-N-methyl-benzamide
CID 10917921
3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxy-phenyl)-methyl]-N-(4-fluoro-phenyl)-N-methyl-benzamide
CID 10994558
3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxy-phenyl)-methyl]-N-ethyl-N-phenyl-benzamide
CID 11113643
3-[(S)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxy-phenyl)-methyl]-N-methyl-N-phenyl-benzamide
CID 22866888
N,N-diethyl-4-((3-hydroxyphenyl)(1-(2-(thiophen-3-yl)ethyl)piperidin-4-yl)amino)benzamide
CID 45486046
3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxy-phenyl)-methyl]-N-(4-fluoro-phenyl)-N-propyl-benzamide
CID 11734011
N,N-diethyl-4-((3-hydroxyphenyl)(1-methylpiperidin-4-yl)amino)benzamide
CID 45485826
4-((1-(2-cyclopropylethyl)piperidin-4-yl)(3-hydroxyphenyl)amino)-N,N-diethylbenzamide
CID 45486032
N,N-diethyl-4-((1-(3-fluorophenethyl)piperidin-4-yl)(3-hydroxyphenyl)amino)benzamide
CID 45486035
N,N-diethyl-4-((3-hydroxyphenyl)(1-phenethylpiperidin-4-yl)amino)benzamide
CID 45486055

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(N-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyanilino)benzamide?
The IUPAC name of N,N-diethyl-4-(N-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyanilino)benzamide (CID 45486011) is N,N-diethyl-4-(N-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyanilino)benzamide.
What is the SMILES notation for N,N-diethyl-4-(N-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyanilino)benzamide?
The canonical SMILES for N,N-diethyl-4-(N-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyanilino)benzamide is CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccccc3F)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-(N-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyanilino)benzamide?
The InChIKey is FNPRFEGADGIAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36FN3O2/c1-3-33(4-2)30(36)24-12-14-25(15-13-24)34(27-9-7-10-28(35)22-27)26-17-20-32(21-18-26)19-16-23-8-5-6-11-29(23)31/h5-15,22,26,35H,3-4,16-21H2,1-2H3.
What are the key properties of N,N-diethyl-4-(N-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyanilino)benzamide?
N,N-diethyl-4-(N-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyanilino)benzamide has a molecular weight of 489.64 g/mol, XLogP of 5.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(N-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyanilino)benzamide is sourced from PubChem (CID 45486011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).