N-[4-(4-acetylpiperazin-1-yl)phenyl]benzamide

C19H21N3O2 — CID 843001

IUPACN-[4-(4-acetylpiperazin-1-yl)phenyl]benzamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C19H21N3O2/c1-15(23)21-11-13-22(14-12-21)18-9-7-17(8-10-18)20-19(24)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,24)
InChIKeyLUAXUEONOWBTON-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.61
Rot. Bonds3

About N-[4-(4-acetylpiperazin-1-yl)phenyl]benzamide

N-[4-(4-acetylpiperazin-1-yl)phenyl]benzamide (PubChem CID 843001) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[4-(4-acetylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(4-acetylpiperazin-1-yl)phenyl]benzamide
PubChem CID843001
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[4-(4-acetylpiperazin-1-yl)phenyl]benzamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C19H21N3O2/c1-15(23)21-11-13-22(14-12-21)18-9-7-17(8-10-18)20-19(24)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,24)
InChIKeyLUAXUEONOWBTON-UHFFFAOYSA-N
XLogP2.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]benzamide (CID 843001) is N-[4-(4-acetylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for N-[4-(4-acetylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for N-[4-(4-acetylpiperazin-1-yl)phenyl]benzamide is CC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3)cc2)CC1.
What is the InChIKey of N-[4-(4-acetylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is LUAXUEONOWBTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-15(23)21-11-13-22(14-12-21)18-9-7-17(8-10-18)20-19(24)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,24).
What are the key properties of N-[4-(4-acetylpiperazin-1-yl)phenyl]benzamide?
N-[4-(4-acetylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 323.40 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 843001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).