N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-cyanobenzamide

C20H20N4O2 — CID 57327098

IUPACN-[2-(4-acetylpiperazin-1-yl)phenyl]-3-cyanobenzamide
SMILESCC(=O)N1CCN(c2ccccc2NC(=O)c2cccc(C#N)c2)CC1
InChIInChI=1S/C20H20N4O2/c1-15(25)23-9-11-24(12-10-23)19-8-3-2-7-18(19)22-20(26)17-6-4-5-16(13-17)14-21/h2-8,13H,9-12H2,1H3,(H,22,26)
InChIKeyUDWYGXKPGOACGV-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.48
Rot. Bonds3

About N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-cyanobenzamide

N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-cyanobenzamide (PubChem CID 57327098) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-cyanobenzamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)phenyl]-3-cyanobenzamide
PubChem CID57327098
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)phenyl]-3-cyanobenzamide
SMILESCC(=O)N1CCN(c2ccccc2NC(=O)c2cccc(C#N)c2)CC1
InChIInChI=1S/C20H20N4O2/c1-15(25)23-9-11-24(12-10-23)19-8-3-2-7-18(19)22-20(26)17-6-4-5-16(13-17)14-21/h2-8,13H,9-12H2,1H3,(H,22,26)
InChIKeyUDWYGXKPGOACGV-UHFFFAOYSA-N
XLogP2.48
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-iodobenzamide
CID 2976682
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide
CID 3161440
N-[2-(4-acetylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide
CID 6458409
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-methylsulfonylbenzamide
CID 57327123
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 57327095
3-cyano-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 18090514
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 43024824
3-cyano-N-(2-iodophenyl)benzamide
CID 7900624
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-chloro-4-methoxybenzamide
CID 3161434
3-bromo-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 5042834
3-methyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 1313458
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-methyl-4-nitrobenzamide
CID 7345547

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-cyanobenzamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-cyanobenzamide (CID 57327098) is N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-cyanobenzamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-cyanobenzamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-cyanobenzamide is CC(=O)N1CCN(c2ccccc2NC(=O)c2cccc(C#N)c2)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-cyanobenzamide?
The InChIKey is UDWYGXKPGOACGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-15(25)23-9-11-24(12-10-23)19-8-3-2-7-18(19)22-20(26)17-6-4-5-16(13-17)14-21/h2-8,13H,9-12H2,1H3,(H,22,26).
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-cyanobenzamide?
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-cyanobenzamide has a molecular weight of 348.41 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-cyanobenzamide is sourced from PubChem (CID 57327098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).