3-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(2-methoxyphenyl)propanamide

C23H29N3O3 — CID 35138374

IUPAC3-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
SMILESCCc1ccc(C(=O)N2CCN(CCC(=O)Nc3ccccc3OC)CC2)cc1
InChIInChI=1S/C23H29N3O3/c1-3-18-8-10-19(11-9-18)23(28)26-16-14-25(15-17-26)13-12-22(27)24-20-6-4-5-7-21(20)29-2/h4-11H,3,12-17H2,1-2H3,(H,24,27)
InChIKeyXVIMEWJSLJPONE-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.04
Rot. Bonds7

About 3-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(2-methoxyphenyl)propanamide

3-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(2-methoxyphenyl)propanamide (PubChem CID 35138374) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 3-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
PubChem CID35138374
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name3-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
SMILESCCc1ccc(C(=O)N2CCN(CCC(=O)Nc3ccccc3OC)CC2)cc1
InChIInChI=1S/C23H29N3O3/c1-3-18-8-10-19(11-9-18)23(28)26-16-14-25(15-17-26)13-12-22(27)24-20-6-4-5-7-21(20)29-2/h4-11H,3,12-17H2,1-2H3,(H,24,27)
InChIKeyXVIMEWJSLJPONE-UHFFFAOYSA-N
XLogP3.04
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylphenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 32770368
N-(4-ethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 109029533
2-[[2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 35130352
3-(3-hydroxyazetidin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 63282614
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)propanamide;hydrochloride
CID 44782286
N-(2-ethoxyphenyl)-3-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]propanamide
CID 91835997
N-(2-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 109017715
N-(2,3-dimethylphenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 27859906
3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-N-(2-methoxyphenyl)propanamide
CID 87015722
3-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 30737783
methyl 2-[3-(4-acetylpiperazin-1-yl)propanoylamino]benzoate
CID 109018375
4-(2-hydroxyethyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 43393054

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(2-methoxyphenyl)propanamide (CID 35138374) is 3-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(2-methoxyphenyl)propanamide is CCc1ccc(C(=O)N2CCN(CCC(=O)Nc3ccccc3OC)CC2)cc1.
What is the InChIKey of 3-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(2-methoxyphenyl)propanamide?
The InChIKey is XVIMEWJSLJPONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-3-18-8-10-19(11-9-18)23(28)26-16-14-25(15-17-26)13-12-22(27)24-20-6-4-5-7-21(20)29-2/h4-11H,3,12-17H2,1-2H3,(H,24,27).
What are the key properties of 3-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(2-methoxyphenyl)propanamide?
3-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(2-methoxyphenyl)propanamide has a molecular weight of 395.50 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 35138374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).