N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide

C21H25N3O2 — CID 1055949

IUPACN-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
SMILESCC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C21H25N3O2/c1-16(2)21(26)24-14-12-23(13-15-24)19-10-8-18(9-11-19)22-20(25)17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,22,25)
InChIKeyHVOQRRHCHLTKBE-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.24
Rot. Bonds4

About N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide

N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide (PubChem CID 1055949) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
PubChem CID1055949
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
SMILESCC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C21H25N3O2/c1-16(2)21(26)24-14-12-23(13-15-24)19-10-8-18(9-11-19)22-20(25)17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,22,25)
InChIKeyHVOQRRHCHLTKBE-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
CID 1055951
2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide
CID 772363
N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1056092
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
N-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide
CID 1055877
N-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide
CID 5202294
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-propan-2-ylbenzamide
CID 110369681
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988758
2-[4-(4-benzamidophenyl)piperazin-1-yl]-2-phenylacetic acid
CID 69324155
N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109048202
N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 2558168
4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983940

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide?
The IUPAC name of N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide (CID 1055949) is N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide.
What is the SMILES notation for N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide?
The canonical SMILES for N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide is CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccccc3)cc2)CC1.
What is the InChIKey of N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide?
The InChIKey is HVOQRRHCHLTKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16(2)21(26)24-14-12-23(13-15-24)19-10-8-18(9-11-19)22-20(25)17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,22,25).
What are the key properties of N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide?
N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide has a molecular weight of 351.45 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide is sourced from PubChem (CID 1055949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).