2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenylbenzamide

C21H25N3O3 — CID 110605924

IUPAC2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenylbenzamide
SMILESCOc1ccc(-c2ccccc2)cc1C(=O)NCC(=O)N1CCN(C)CC1
InChIInChI=1S/C21H25N3O3/c1-23-10-12-24(13-11-23)20(25)15-22-21(26)18-14-17(8-9-19(18)27-2)16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,22,26)
InChIKeyZKBCJPXZYHDHLN-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.87
Rot. Bonds5

About 2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenylbenzamide

2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenylbenzamide (PubChem CID 110605924) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenylbenzamide
PubChem CID110605924
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenylbenzamide
SMILESCOc1ccc(-c2ccccc2)cc1C(=O)NCC(=O)N1CCN(C)CC1
InChIInChI=1S/C21H25N3O3/c1-23-10-12-24(13-11-23)20(25)15-22-21(26)18-14-17(8-9-19(18)27-2)16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,22,26)
InChIKeyZKBCJPXZYHDHLN-UHFFFAOYSA-N
XLogP1.87
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 110605845
2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 36866031
5-bromo-2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 110633453
N-(3-acetamidopropyl)-2-methoxy-5-phenylbenzamide
CID 110630734
N-(4-acetamidobutyl)-2-methoxy-5-phenylbenzamide
CID 110609817
N-[2-(dimethylamino)ethyl]-2-methoxy-5-phenylbenzamide
CID 110408034
2-methoxy-5-phenyl-N-(pyridin-4-ylmethyl)benzamide
CID 110410764
N-cyclopropyl-2-methoxy-5-phenylbenzamide
CID 110406431
N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 108533941
N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methoxybenzamide
CID 2688194
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide
CID 25166103
3-(3-chloro-4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 22334112

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenylbenzamide?
The IUPAC name of 2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenylbenzamide (CID 110605924) is 2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenylbenzamide.
What is the SMILES notation for 2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenylbenzamide?
The canonical SMILES for 2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenylbenzamide is COc1ccc(-c2ccccc2)cc1C(=O)NCC(=O)N1CCN(C)CC1.
What is the InChIKey of 2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenylbenzamide?
The InChIKey is ZKBCJPXZYHDHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-23-10-12-24(13-11-23)20(25)15-22-21(26)18-14-17(8-9-19(18)27-2)16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,22,26).
What are the key properties of 2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenylbenzamide?
2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenylbenzamide has a molecular weight of 367.45 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenylbenzamide is sourced from PubChem (CID 110605924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).