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

C22H29N3O2 — CID 109029533

IUPACN-(4-ethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCCc1ccc(NC(=O)CCN2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-3-18-8-10-19(11-9-18)23-22(26)12-13-24-14-16-25(17-15-24)20-6-4-5-7-21(20)27-2/h4-11H,3,12-17H2,1-2H3,(H,23,26)
InChIKeyVGKCGNBEDFRUCB-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.41
Rot. Bonds7

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

N-(4-ethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (PubChem CID 109029533) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
PubChem CID109029533
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-(4-ethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCCc1ccc(NC(=O)CCN2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-3-18-8-10-19(11-9-18)23-22(26)12-13-24-14-16-25(17-15-24)20-6-4-5-7-21(20)27-2/h4-11H,3,12-17H2,1-2H3,(H,23,26)
InChIKeyVGKCGNBEDFRUCB-UHFFFAOYSA-N
XLogP3.41
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 1149684
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide
CID 142695553
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)hexanamide;hydrochloride
CID 162674778
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)propanamide
CID 109029549
N-(4-butan-2-ylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexanamide;hydrochloride
CID 162673635
methyl 4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propanoylamino]benzoate
CID 109029947
N-(4-aminophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride
CID 175654262
3-(4-acetylpiperazin-1-yl)-N-(4-ethylphenyl)propanamide
CID 109018341
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)propanamide
CID 109031268
propan-2-yl 3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 110186525
3-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 35138374

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(4-ethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (CID 109029533) is N-(4-ethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-ethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is CCc1ccc(NC(=O)CCN2CCN(c3ccccc3OC)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is VGKCGNBEDFRUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-3-18-8-10-19(11-9-18)23-22(26)12-13-24-14-16-25(17-15-24)20-6-4-5-7-21(20)27-2/h4-11H,3,12-17H2,1-2H3,(H,23,26).
What are the key properties of N-(4-ethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
N-(4-ethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 367.49 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 109029533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).