3-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)benzamide

C21H25N3O3 — CID 109053712

IUPAC3-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)benzamide
SMILESCCN1CCN(C(=O)c2cccc(C(=O)Nc3cccc(OC)c3)c2)CC1
InChIInChI=1S/C21H25N3O3/c1-3-23-10-12-24(13-11-23)21(26)17-7-4-6-16(14-17)20(25)22-18-8-5-9-19(15-18)27-2/h4-9,14-15H,3,10-13H2,1-2H3,(H,22,25)
InChIKeyOPPINKVKUKTDPI-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.73
Rot. Bonds5

About 3-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)benzamide

3-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)benzamide (PubChem CID 109053712) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)benzamide
PubChem CID109053712
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)benzamide
SMILESCCN1CCN(C(=O)c2cccc(C(=O)Nc3cccc(OC)c3)c2)CC1
InChIInChI=1S/C21H25N3O3/c1-3-23-10-12-24(13-11-23)21(26)17-7-4-6-16(14-17)20(25)22-18-8-5-9-19(15-18)27-2/h4-9,14-15H,3,10-13H2,1-2H3,(H,22,25)
InChIKeyOPPINKVKUKTDPI-UHFFFAOYSA-N
XLogP2.73
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)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-(3-benzamidophenyl)-4-(3-methoxybenzoyl)piperazine-1-carboxamide
CID 55747739
3-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 109053657
[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 121038204
2-(4-ethylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109084601
N-(3-methoxyphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102944
1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057624
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
4-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 109147563
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 36875241
ethyl 4-[3-(phenylcarbamoyl)benzoyl]piperazine-1-carboxylate
CID 109055762
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055870
3-propoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 26161679

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)benzamide?
The IUPAC name of 3-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)benzamide (CID 109053712) is 3-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 3-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 3-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)benzamide is CCN1CCN(C(=O)c2cccc(C(=O)Nc3cccc(OC)c3)c2)CC1.
What is the InChIKey of 3-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)benzamide?
The InChIKey is OPPINKVKUKTDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-3-23-10-12-24(13-11-23)21(26)17-7-4-6-16(14-17)20(25)22-18-8-5-9-19(15-18)27-2/h4-9,14-15H,3,10-13H2,1-2H3,(H,22,25).
What are the key properties of 3-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)benzamide?
3-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 109053712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).