N,N-diethyl-4-[(3-hydroxyphenyl)-(1-methoxypiperidin-4-ylidene)methyl]benzamide

C24H30N2O3 — CID 142966943

IUPACN,N-diethyl-4-[(3-hydroxyphenyl)-(1-methoxypiperidin-4-ylidene)methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCN(OC)CC2)c2cccc(O)c2)cc1
InChIInChI=1S/C24H30N2O3/c1-4-25(5-2)24(28)20-11-9-18(10-12-20)23(21-7-6-8-22(27)17-21)19-13-15-26(29-3)16-14-19/h6-12,17,27H,4-5,13-16H2,1-3H3
InChIKeyWSHMICJMCUREFZ-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.33
Rot. Bonds6

About N,N-diethyl-4-[(3-hydroxyphenyl)-(1-methoxypiperidin-4-ylidene)methyl]benzamide

N,N-diethyl-4-[(3-hydroxyphenyl)-(1-methoxypiperidin-4-ylidene)methyl]benzamide (PubChem CID 142966943) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N,N-diethyl-4-[(3-hydroxyphenyl)-(1-methoxypiperidin-4-ylidene)methyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(3-hydroxyphenyl)-(1-methoxypiperidin-4-ylidene)methyl]benzamide
PubChem CID142966943
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN,N-diethyl-4-[(3-hydroxyphenyl)-(1-methoxypiperidin-4-ylidene)methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCN(OC)CC2)c2cccc(O)c2)cc1
InChIInChI=1S/C24H30N2O3/c1-4-25(5-2)24(28)20-11-9-18(10-12-20)23(21-7-6-8-22(27)17-21)19-13-15-26(29-3)16-14-19/h6-12,17,27H,4-5,13-16H2,1-3H3
InChIKeyWSHMICJMCUREFZ-UHFFFAOYSA-N
XLogP4.33
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[[4-(diethylcarbamoyl)phenyl]-(1-methoxypiperidin-4-ylidene)methyl]phenyl] hypoiodite
CID 142966945
4-[(1-benzylpiperidin-4-ylidene)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide
CID 10226133
[3-[[4-(diethylcarbamoyl)phenyl]-(1-methoxypiperidin-4-ylidene)methyl]phenyl] trifluoromethanesulfonate;methane
CID 142891829
N,N-diethyl-4-[(3-hydroxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 10297282
4-[(3-aminophenyl)-[4-(diethylcarbamoyl)phenyl]methylidene]piperidine-1-carboxylic acid
CID 69475946
N,N-diethyl-4-[(3-hydroxyphenyl)-[8-[(4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide
CID 11168164
tert-butyl 4-[(3-aminophenyl)-[4-(diethylcarbamoyl)phenyl]methylidene]piperidine-1-carboxylate;ethane
CID 142891843
4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-ylidene)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide
CID 11306169
N,N-diethyl-4-[(3-fluorophenyl)-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]methyl]benzamide
CID 57392492
[3-[[4-(diethylcarbamoyl)phenyl]-[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]phenyl] N-ethylcarbamate
CID 91579927
[3-[[4-(diethylcarbamoyl)phenyl]-(1-propylpiperidin-4-ylidene)methyl]phenyl]carbamic acid
CID 69478896
N,N-diethyl-4-[[1-(3-methylbut-2-enyl)piperidin-4-ylidene]-phenylmethyl]benzamide
CID 10549849

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(3-hydroxyphenyl)-(1-methoxypiperidin-4-ylidene)methyl]benzamide?
The IUPAC name of N,N-diethyl-4-[(3-hydroxyphenyl)-(1-methoxypiperidin-4-ylidene)methyl]benzamide (CID 142966943) is N,N-diethyl-4-[(3-hydroxyphenyl)-(1-methoxypiperidin-4-ylidene)methyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[(3-hydroxyphenyl)-(1-methoxypiperidin-4-ylidene)methyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[(3-hydroxyphenyl)-(1-methoxypiperidin-4-ylidene)methyl]benzamide is CCN(CC)C(=O)c1ccc(C(=C2CCN(OC)CC2)c2cccc(O)c2)cc1.
What is the InChIKey of N,N-diethyl-4-[(3-hydroxyphenyl)-(1-methoxypiperidin-4-ylidene)methyl]benzamide?
The InChIKey is WSHMICJMCUREFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-4-25(5-2)24(28)20-11-9-18(10-12-20)23(21-7-6-8-22(27)17-21)19-13-15-26(29-3)16-14-19/h6-12,17,27H,4-5,13-16H2,1-3H3.
What are the key properties of N,N-diethyl-4-[(3-hydroxyphenyl)-(1-methoxypiperidin-4-ylidene)methyl]benzamide?
N,N-diethyl-4-[(3-hydroxyphenyl)-(1-methoxypiperidin-4-ylidene)methyl]benzamide has a molecular weight of 394.52 g/mol, XLogP of 4.33, 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-hydroxyphenyl)-(1-methoxypiperidin-4-ylidene)methyl]benzamide is sourced from PubChem (CID 142966943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).