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

C28H35N3O2S — CID 45486046

IUPACN,N-diethyl-4-(3-hydroxy-N-[1-(2-thiophen-3-ylethyl)piperidin-4-yl]anilino)benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccsc3)CC2)cc1
InChIInChI=1S/C28H35N3O2S/c1-3-30(4-2)28(33)23-8-10-24(11-9-23)31(26-6-5-7-27(32)20-26)25-13-17-29(18-14-25)16-12-22-15-19-34-21-22/h5-11,15,19-21,25,32H,3-4,12-14,16-18H2,1-2H3
InChIKeyHKTMYGZLERUFSV-UHFFFAOYSA-N
MW477.67 g/mol
LogP5.78
Rot. Bonds9

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

N,N-diethyl-4-(3-hydroxy-N-[1-(2-thiophen-3-ylethyl)piperidin-4-yl]anilino)benzamide (PubChem CID 45486046) has the molecular formula C28H35N3O2S and a molecular weight of 477.67 g/mol. Its IUPAC name is N,N-diethyl-4-(3-hydroxy-N-[1-(2-thiophen-3-ylethyl)piperidin-4-yl]anilino)benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(3-hydroxy-N-[1-(2-thiophen-3-ylethyl)piperidin-4-yl]anilino)benzamide
PubChem CID45486046
Molecular FormulaC28H35N3O2S
Molecular Weight477.67 g/mol
Exact Mass477.24
IUPAC NameN,N-diethyl-4-(3-hydroxy-N-[1-(2-thiophen-3-ylethyl)piperidin-4-yl]anilino)benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccsc3)CC2)cc1
InChIInChI=1S/C28H35N3O2S/c1-3-30(4-2)28(33)23-8-10-24(11-9-23)31(26-6-5-7-27(32)20-26)25-13-17-29(18-14-25)16-12-22-15-19-34-21-22/h5-11,15,19-21,25,32H,3-4,12-14,16-18H2,1-2H3
InChIKeyHKTMYGZLERUFSV-UHFFFAOYSA-N
XLogP5.78
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.67
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-((1-benzylpiperidin-4-yl)(3-hydroxyphenyl)amino)-N,N-diethylbenzamide
CID 9911987
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
N,N-diethyl-4-((3-hydroxyphenyl)(1-phenethylpiperidin-4-yl)amino)benzamide
CID 45486055
N,N-diethyl-4-((3-hydroxyphenyl)(1-(2-(thiophen-2-yl)ethyl)piperidin-4-yl)amino)benzamide
CID 45486096
N,N-diethyl-4-((3-hydroxyphenyl)(1-(4-methylphenethyl)piperidin-4-yl)amino)benzamide
CID 45486101
N-[4-[4-(3-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155565438
N-[3-[(3-hydroxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 869374
4-[(1-Allyl-3-methyl-piperidin-4-yl)-(3-hydroxy-phenyl)-amino]-N,N-diethyl-benzamide
CID 10320022
4-(N-[(3S,4R)-1-[(E)-but-2-enyl]-3-methylpiperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide
CID 10410736

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(3-hydroxy-N-[1-(2-thiophen-3-ylethyl)piperidin-4-yl]anilino)benzamide?
The IUPAC name of N,N-diethyl-4-(3-hydroxy-N-[1-(2-thiophen-3-ylethyl)piperidin-4-yl]anilino)benzamide (CID 45486046) is N,N-diethyl-4-(3-hydroxy-N-[1-(2-thiophen-3-ylethyl)piperidin-4-yl]anilino)benzamide.
What is the SMILES notation for N,N-diethyl-4-(3-hydroxy-N-[1-(2-thiophen-3-ylethyl)piperidin-4-yl]anilino)benzamide?
The canonical SMILES for N,N-diethyl-4-(3-hydroxy-N-[1-(2-thiophen-3-ylethyl)piperidin-4-yl]anilino)benzamide is CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccsc3)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-(3-hydroxy-N-[1-(2-thiophen-3-ylethyl)piperidin-4-yl]anilino)benzamide?
The InChIKey is HKTMYGZLERUFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O2S/c1-3-30(4-2)28(33)23-8-10-24(11-9-23)31(26-6-5-7-27(32)20-26)25-13-17-29(18-14-25)16-12-22-15-19-34-21-22/h5-11,15,19-21,25,32H,3-4,12-14,16-18H2,1-2H3.
What are the key properties of N,N-diethyl-4-(3-hydroxy-N-[1-(2-thiophen-3-ylethyl)piperidin-4-yl]anilino)benzamide?
N,N-diethyl-4-(3-hydroxy-N-[1-(2-thiophen-3-ylethyl)piperidin-4-yl]anilino)benzamide has a molecular weight of 477.67 g/mol, XLogP of 5.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(3-hydroxy-N-[1-(2-thiophen-3-ylethyl)piperidin-4-yl]anilino)benzamide is sourced from PubChem (CID 45486046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).