N-(2-methoxyphenyl)-4-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide

C22H27N3O3 — CID 16554821

IUPACN-(2-methoxyphenyl)-4-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CN2CCCCC2C)cc1
InChIInChI=1S/C22H27N3O3/c1-16-7-5-6-14-25(16)15-21(26)23-18-12-10-17(11-13-18)22(27)24-19-8-3-4-9-20(19)28-2/h3-4,8-13,16H,5-7,14-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyJXEHPRCMIGEALE-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.76
Rot. Bonds6

About N-(2-methoxyphenyl)-4-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide

N-(2-methoxyphenyl)-4-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide (PubChem CID 16554821) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide
PubChem CID16554821
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-(2-methoxyphenyl)-4-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CN2CCCCC2C)cc1
InChIInChI=1S/C22H27N3O3/c1-16-7-5-6-14-25(16)15-21(26)23-18-12-10-17(11-13-18)22(27)24-19-8-3-4-9-20(19)28-2/h3-4,8-13,16H,5-7,14-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyJXEHPRCMIGEALE-UHFFFAOYSA-N
XLogP3.76
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(2-ethylpiperidin-1-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 51170589
4-[[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 11940884
4-[(2-cyclopentylacetyl)amino]-N-(2-methoxyphenyl)benzamide
CID 9244990
N-(2-methoxyphenyl)-2-[[2-[(2S)-2-methylpiperidin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 26875521
4-[[2-[cyclopentyl(methyl)amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 16576369
N-(4-iodophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697962
N-(4-acetamidophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 4818604
N-(2-methoxyphenyl)-4-[[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]amino]benzamide
CID 46801583
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 7863287
N-(4-tert-butylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 18078471
N-(2-methoxyphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 999491
4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 2439104

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide (CID 16554821) is N-(2-methoxyphenyl)-4-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)CN2CCCCC2C)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide?
The InChIKey is JXEHPRCMIGEALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16-7-5-6-14-25(16)15-21(26)23-18-12-10-17(11-13-18)22(27)24-19-8-3-4-9-20(19)28-2/h3-4,8-13,16H,5-7,14-15H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-(2-methoxyphenyl)-4-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide?
N-(2-methoxyphenyl)-4-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide has a molecular weight of 381.48 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 16554821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).