N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide

C21H25N3O3 — CID 51161506

IUPACN-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide
SMILESCOc1cccc(N2CCN(C(=O)CNC(=O)c3ccccc3C)CC2)c1
InChIInChI=1S/C21H25N3O3/c1-16-6-3-4-9-19(16)21(26)22-15-20(25)24-12-10-23(11-13-24)17-7-5-8-18(14-17)27-2/h3-9,14H,10-13,15H2,1-2H3,(H,22,26)
InChIKeyNMBOBGJOVXYOIS-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.08
Rot. Bonds5

About N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide

N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide (PubChem CID 51161506) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide
PubChem CID51161506
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide
SMILESCOc1cccc(N2CCN(C(=O)CNC(=O)c3ccccc3C)CC2)c1
InChIInChI=1S/C21H25N3O3/c1-16-6-3-4-9-19(16)21(26)22-15-20(25)24-12-10-23(11-13-24)17-7-5-8-18(14-17)27-2/h3-9,14H,10-13,15H2,1-2H3,(H,22,26)
InChIKeyNMBOBGJOVXYOIS-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9152898
3,4,5-trimethoxy-N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 46601420
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3,3-dimethyl-2-oxobutanamide
CID 113097898
3-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9158911
2-fluoro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 18120436
2-(2-methoxyethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119829459
2-(4-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 112994410
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 78768997
2-(cyclopropylmethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119829431
3,5-dimethoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 18111092
N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylbenzamide
CID 51318560
1-(2,5-dimethylphenyl)-4-[4-(3-methoxyphenyl)piperazin-1-yl]butane-1,4-dione
CID 9372365

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide (CID 51161506) is N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide is COc1cccc(N2CCN(C(=O)CNC(=O)c3ccccc3C)CC2)c1.
What is the InChIKey of N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide?
The InChIKey is NMBOBGJOVXYOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16-6-3-4-9-19(16)21(26)22-15-20(25)24-12-10-23(11-13-24)17-7-5-8-18(14-17)27-2/h3-9,14H,10-13,15H2,1-2H3,(H,22,26).
What are the key properties of N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide?
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide has a molecular weight of 367.45 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 51161506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).