N-(2-ethylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide

C21H23N3O3 — CID 109053802

IUPACN-(2-ethylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
SMILESCCc1ccccc1NC(=O)c1cccc(C(=O)N2CCN(C=O)CC2)c1
InChIInChI=1S/C21H23N3O3/c1-2-16-6-3-4-9-19(16)22-20(26)17-7-5-8-18(14-17)21(27)24-12-10-23(15-25)11-13-24/h3-9,14-15H,2,10-13H2,1H3,(H,22,26)
InChIKeyIHDPETNCOBBQIW-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.42
Rot. Bonds5

About N-(2-ethylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide

N-(2-ethylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide (PubChem CID 109053802) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
PubChem CID109053802
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-(2-ethylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
SMILESCCc1ccccc1NC(=O)c1cccc(C(=O)N2CCN(C=O)CC2)c1
InChIInChI=1S/C21H23N3O3/c1-2-16-6-3-4-9-19(16)22-20(26)17-7-5-8-18(14-17)21(27)24-12-10-23(15-25)11-13-24/h3-9,14-15H,2,10-13H2,1H3,(H,22,26)
InChIKeyIHDPETNCOBBQIW-UHFFFAOYSA-N
XLogP2.42
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-(2-ethylphenyl)-3-(4-formylpiperazine-1-carbonyl)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

N-(2-ethylphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
CID 109052339
N-(3-chloro-2-methylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053818
3-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)benzamide
CID 109053830
N-(4-chloro-2-methylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053820
3-(4-formylpiperazine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 109053853
3-(4-formylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzamide
CID 109053846
N-(4-acetylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053836
N-(4-fluorophenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053814
3-(4-formylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109053757
4-[3-(4-methylpiperazine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde
CID 109053495
N-(2-ethylphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102918
N,N-diethyl-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053776

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide?
The IUPAC name of N-(2-ethylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide (CID 109053802) is N-(2-ethylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide?
The canonical SMILES for N-(2-ethylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide is CCc1ccccc1NC(=O)c1cccc(C(=O)N2CCN(C=O)CC2)c1.
What is the InChIKey of N-(2-ethylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide?
The InChIKey is IHDPETNCOBBQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-2-16-6-3-4-9-19(16)22-20(26)17-7-5-8-18(14-17)21(27)24-12-10-23(15-25)11-13-24/h3-9,14-15H,2,10-13H2,1H3,(H,22,26).
What are the key properties of N-(2-ethylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide?
N-(2-ethylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide has a molecular weight of 365.43 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide is sourced from PubChem (CID 109053802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).