N,N-diethyl-4-(3-hydroxy-N-[1-(2-phenylethyl)piperidin-4-yl]anilino)benzamide

C30H37N3O2 — CID 45486055

IUPACN,N-diethyl-4-(3-hydroxy-N-[1-(2-phenylethyl)piperidin-4-yl]anilino)benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C30H37N3O2/c1-3-32(4-2)30(35)25-13-15-26(16-14-25)33(28-11-8-12-29(34)23-28)27-18-21-31(22-19-27)20-17-24-9-6-5-7-10-24/h5-16,23,27,34H,3-4,17-22H2,1-2H3
InChIKeyMCUUCGRZCLOQAB-UHFFFAOYSA-N
MW471.65 g/mol
LogP5.72
Rot. Bonds9

About N,N-diethyl-4-(3-hydroxy-N-[1-(2-phenylethyl)piperidin-4-yl]anilino)benzamide

N,N-diethyl-4-(3-hydroxy-N-[1-(2-phenylethyl)piperidin-4-yl]anilino)benzamide (PubChem CID 45486055) has the molecular formula C30H37N3O2 and a molecular weight of 471.65 g/mol. Its IUPAC name is N,N-diethyl-4-(3-hydroxy-N-[1-(2-phenylethyl)piperidin-4-yl]anilino)benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(3-hydroxy-N-[1-(2-phenylethyl)piperidin-4-yl]anilino)benzamide
PubChem CID45486055
Molecular FormulaC30H37N3O2
Molecular Weight471.65 g/mol
Exact Mass471.29
IUPAC NameN,N-diethyl-4-(3-hydroxy-N-[1-(2-phenylethyl)piperidin-4-yl]anilino)benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C30H37N3O2/c1-3-32(4-2)30(35)25-13-15-26(16-14-25)33(28-11-8-12-29(34)23-28)27-18-21-31(22-19-27)20-17-24-9-6-5-7-10-24/h5-16,23,27,34H,3-4,17-22H2,1-2H3
InChIKeyMCUUCGRZCLOQAB-UHFFFAOYSA-N
XLogP5.72
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.65
LogP ≤ 55.72
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
N,N-diethyl-4-((1-(2-fluorophenethyl)piperidin-4-yl)(3-hydroxyphenyl)amino)benzamide
CID 45486011
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

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(3-hydroxy-N-[1-(2-phenylethyl)piperidin-4-yl]anilino)benzamide?
The IUPAC name of N,N-diethyl-4-(3-hydroxy-N-[1-(2-phenylethyl)piperidin-4-yl]anilino)benzamide (CID 45486055) is N,N-diethyl-4-(3-hydroxy-N-[1-(2-phenylethyl)piperidin-4-yl]anilino)benzamide.
What is the SMILES notation for N,N-diethyl-4-(3-hydroxy-N-[1-(2-phenylethyl)piperidin-4-yl]anilino)benzamide?
The canonical SMILES for N,N-diethyl-4-(3-hydroxy-N-[1-(2-phenylethyl)piperidin-4-yl]anilino)benzamide is CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccccc3)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-(3-hydroxy-N-[1-(2-phenylethyl)piperidin-4-yl]anilino)benzamide?
The InChIKey is MCUUCGRZCLOQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O2/c1-3-32(4-2)30(35)25-13-15-26(16-14-25)33(28-11-8-12-29(34)23-28)27-18-21-31(22-19-27)20-17-24-9-6-5-7-10-24/h5-16,23,27,34H,3-4,17-22H2,1-2H3.
What are the key properties of N,N-diethyl-4-(3-hydroxy-N-[1-(2-phenylethyl)piperidin-4-yl]anilino)benzamide?
N,N-diethyl-4-(3-hydroxy-N-[1-(2-phenylethyl)piperidin-4-yl]anilino)benzamide has a molecular weight of 471.65 g/mol, XLogP of 5.72, 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-(3-hydroxy-N-[1-(2-phenylethyl)piperidin-4-yl]anilino)benzamide is sourced from PubChem (CID 45486055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).