3-methoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide

C21H25N3O3 — CID 9152898

IUPAC3-methoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCOc1cccc(C(=O)NCC(=O)N2CCN(c3ccccc3C)CC2)c1
InChIInChI=1S/C21H25N3O3/c1-16-6-3-4-9-19(16)23-10-12-24(13-11-23)20(25)15-22-21(26)17-7-5-8-18(14-17)27-2/h3-9,14H,10-13,15H2,1-2H3,(H,22,26)
InChIKeyRBDWRCYQBWYUBQ-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.08
Rot. Bonds5

About 3-methoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide

3-methoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide (PubChem CID 9152898) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-methoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
PubChem CID9152898
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3-methoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCOc1cccc(C(=O)NCC(=O)N2CCN(c3ccccc3C)CC2)c1
InChIInChI=1S/C21H25N3O3/c1-16-6-3-4-9-19(16)23-10-12-24(13-11-23)20(25)15-22-21(26)17-7-5-8-18(14-17)27-2/h3-9,14H,10-13,15H2,1-2H3,(H,22,26)
InChIKeyRBDWRCYQBWYUBQ-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

3,5-dimethoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 18111092
3-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9158911
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3,5-dimethoxybenzamide
CID 9082532
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide
CID 51161506
2-(3-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 9153668
3-methoxy-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 90586455
3-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 17226023
3-methoxy-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide
CID 4877073
3,4,5-trimethoxy-N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 46601420
3-methoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 112995627
3,4-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 27665451
1-[2-[(3-methoxybenzoyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122117490

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide (CID 9152898) is 3-methoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide is COc1cccc(C(=O)NCC(=O)N2CCN(c3ccccc3C)CC2)c1.
What is the InChIKey of 3-methoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is RBDWRCYQBWYUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16-6-3-4-9-19(16)23-10-12-24(13-11-23)20(25)15-22-21(26)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 3-methoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide?
3-methoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide 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 3-methoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 9152898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).