N-(2-aminophenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide

C22H27N3O3 — CID 119421973

IUPACN-(2-aminophenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
SMILESCC1CCCC(C)N1C(=O)COc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C22H27N3O3/c1-15-6-5-7-16(2)25(15)21(26)14-28-18-12-10-17(11-13-18)22(27)24-20-9-4-3-8-19(20)23/h3-4,8-13,15-16H,5-7,14,23H2,1-2H3,(H,24,27)
InChIKeyGBTKIVZIDXHVEM-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.69
Rot. Bonds5

About N-(2-aminophenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide

N-(2-aminophenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide (PubChem CID 119421973) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
PubChem CID119421973
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-(2-aminophenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
SMILESCC1CCCC(C)N1C(=O)COc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C22H27N3O3/c1-15-6-5-7-16(2)25(15)21(26)14-28-18-12-10-17(11-13-18)22(27)24-20-9-4-3-8-19(20)23/h3-4,8-13,15-16H,5-7,14,23H2,1-2H3,(H,24,27)
InChIKeyGBTKIVZIDXHVEM-UHFFFAOYSA-N
XLogP3.69
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 55801206
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]benzoate
CID 7835922
methyl 3-[[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzoyl]amino]-4-methylbenzoate
CID 26198255
4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-pyridin-4-ylbenzamide
CID 25352382
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-(4-methyl-2-propoxyphenyl)benzamide
CID 55901974
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-(2-methyl-4-propoxyphenyl)benzamide
CID 60540539
N-[(2S)-1-aminopropan-2-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 120506249
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 47016422
(2-anilino-2-oxoethyl) 4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzoate
CID 25431521
N-[3-(aminomethyl)pentan-3-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 119569045
methyl 2-[[4-[[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]amino]benzoyl]amino]acetate
CID 55396774
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[6-(2-methoxyethoxy)-3-pyridinyl]benzamide
CID 55635303

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide (CID 119421973) is N-(2-aminophenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide is CC1CCCC(C)N1C(=O)COc1ccc(C(=O)Nc2ccccc2N)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide?
The InChIKey is GBTKIVZIDXHVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-15-6-5-7-16(2)25(15)21(26)14-28-18-12-10-17(11-13-18)22(27)24-20-9-4-3-8-19(20)23/h3-4,8-13,15-16H,5-7,14,23H2,1-2H3,(H,24,27).
What are the key properties of N-(2-aminophenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide?
N-(2-aminophenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide has a molecular weight of 381.48 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide is sourced from PubChem (CID 119421973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).