3-methyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide

C21H25N3O2 — CID 1313458

IUPAC3-methyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
SMILESCCC(=O)N1CCN(c2ccccc2NC(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C21H25N3O2/c1-3-20(25)24-13-11-23(12-14-24)19-10-5-4-9-18(19)22-21(26)17-8-6-7-16(2)15-17/h4-10,15H,3,11-14H2,1-2H3,(H,22,26)
InChIKeyAMUDYVSKYZZLPK-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.31
Rot. Bonds4

About 3-methyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide

3-methyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide (PubChem CID 1313458) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
PubChem CID1313458
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name3-methyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
SMILESCCC(=O)N1CCN(c2ccccc2NC(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C21H25N3O2/c1-3-20(25)24-13-11-23(12-14-24)19-10-5-4-9-18(19)22-21(26)17-8-6-7-16(2)15-17/h4-10,15H,3,11-14H2,1-2H3,(H,22,26)
InChIKeyAMUDYVSKYZZLPK-UHFFFAOYSA-N
XLogP3.31
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 5042834
4-butoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 22775492
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-iodobenzamide
CID 2976682
5-bromo-2-methoxy-3-methyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 17111779
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-iodobenzamide
CID 18190160
2,3,5,6-tetrafluoro-4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 5138444
3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
CID 4288614
N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-4-methylbenzamide
CID 3993483
3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 7492197
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 57327095
3-methyl-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
CID 3732443
3-(2-methylpropoxy)-N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
CID 17110092

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 3-methyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide (CID 1313458) is 3-methyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide is CCC(=O)N1CCN(c2ccccc2NC(=O)c2cccc(C)c2)CC1.
What is the InChIKey of 3-methyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is AMUDYVSKYZZLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-3-20(25)24-13-11-23(12-14-24)19-10-5-4-9-18(19)22-21(26)17-8-6-7-16(2)15-17/h4-10,15H,3,11-14H2,1-2H3,(H,22,26).
What are the key properties of 3-methyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide?
3-methyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 351.45 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 1313458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).