N,N-diethyl-4-(3-hydroxy-N-(1-methylpiperidin-4-yl)anilino)benzamide

C23H31N3O2 — CID 45485826

IUPACN,N-diethyl-4-(3-hydroxy-N-(1-methylpiperidin-4-yl)anilino)benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(C)CC2)cc1
InChIInChI=1S/C23H31N3O2/c1-4-25(5-2)23(28)18-9-11-19(12-10-18)26(20-13-15-24(3)16-14-20)21-7-6-8-22(27)17-21/h6-12,17,20,27H,4-5,13-16H2,1-3H3
InChIKeyCBAXBKFTFAZJRB-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.11
Rot. Bonds6

About N,N-diethyl-4-(3-hydroxy-N-(1-methylpiperidin-4-yl)anilino)benzamide

N,N-diethyl-4-(3-hydroxy-N-(1-methylpiperidin-4-yl)anilino)benzamide (PubChem CID 45485826) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N,N-diethyl-4-(3-hydroxy-N-(1-methylpiperidin-4-yl)anilino)benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(3-hydroxy-N-(1-methylpiperidin-4-yl)anilino)benzamide
PubChem CID45485826
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN,N-diethyl-4-(3-hydroxy-N-(1-methylpiperidin-4-yl)anilino)benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(C)CC2)cc1
InChIInChI=1S/C23H31N3O2/c1-4-25(5-2)23(28)18-9-11-19(12-10-18)26(20-13-15-24(3)16-14-20)21-7-6-8-22(27)17-21/h6-12,17,20,27H,4-5,13-16H2,1-3H3
InChIKeyCBAXBKFTFAZJRB-UHFFFAOYSA-N
XLogP4.11
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(2-(thiophen-3-yl)ethyl)piperidin-4-yl)amino)benzamide
CID 45486046
4-Hydroxy-N-(2-(2-(1-methyl-2-piperidinyl)ethyl)phenyl)benzamide
CID 54736
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-((1-(2-(furan-3-yl)ethyl)piperidin-4-yl)(3-hydroxyphenyl)amino)benzamide
CID 45486042
N,N-diethyl-4-((3-hydroxyphenyl)(1-phenethylpiperidin-4-yl)amino)benzamide
CID 45486055
N,N-diethyl-4-((1-(2-(furan-2-yl)ethyl)piperidin-4-yl)(3-hydroxyphenyl)amino)benzamide
CID 45486070
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
2-fluoro-N-(2-hydroxybenzyl)-N-(4-methylphenyl)benzamide
CID 835182

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(3-hydroxy-N-(1-methylpiperidin-4-yl)anilino)benzamide?
The IUPAC name of N,N-diethyl-4-(3-hydroxy-N-(1-methylpiperidin-4-yl)anilino)benzamide (CID 45485826) is N,N-diethyl-4-(3-hydroxy-N-(1-methylpiperidin-4-yl)anilino)benzamide.
What is the SMILES notation for N,N-diethyl-4-(3-hydroxy-N-(1-methylpiperidin-4-yl)anilino)benzamide?
The canonical SMILES for N,N-diethyl-4-(3-hydroxy-N-(1-methylpiperidin-4-yl)anilino)benzamide is CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(C)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-(3-hydroxy-N-(1-methylpiperidin-4-yl)anilino)benzamide?
The InChIKey is CBAXBKFTFAZJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-4-25(5-2)23(28)18-9-11-19(12-10-18)26(20-13-15-24(3)16-14-20)21-7-6-8-22(27)17-21/h6-12,17,20,27H,4-5,13-16H2,1-3H3.
What are the key properties of N,N-diethyl-4-(3-hydroxy-N-(1-methylpiperidin-4-yl)anilino)benzamide?
N,N-diethyl-4-(3-hydroxy-N-(1-methylpiperidin-4-yl)anilino)benzamide has a molecular weight of 381.52 g/mol, XLogP of 4.11, 6 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-methylpiperidin-4-yl)anilino)benzamide is sourced from PubChem (CID 45485826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).