3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide

C20H22Cl3N3O2 — CID 142695553

IUPAC3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide
SMILESCOc1ccccc1N1CCN(CCC(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)CC1
InChIInChI=1S/C20H22Cl3N3O2/c1-28-18-5-3-2-4-17(18)26-10-8-25(9-11-26)7-6-19(27)24-14-12-15(21)20(23)16(22)13-14/h2-5,12-13H,6-11H2,1H3,(H,24,27)
InChIKeyPMFRCARZDOLYNM-UHFFFAOYSA-N
MW442.77 g/mol
LogP4.81
Rot. Bonds6

About 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide

3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide (PubChem CID 142695553) has the molecular formula C20H22Cl3N3O2 and a molecular weight of 442.77 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide
PubChem CID142695553
Molecular FormulaC20H22Cl3N3O2
Molecular Weight442.77 g/mol
Exact Mass441.08
IUPAC Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide
SMILESCOc1ccccc1N1CCN(CCC(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)CC1
InChIInChI=1S/C20H22Cl3N3O2/c1-28-18-5-3-2-4-17(18)26-10-8-25(9-11-26)7-6-19(27)24-14-12-15(21)20(23)16(22)13-14/h2-5,12-13H,6-11H2,1H3,(H,24,27)
InChIKeyPMFRCARZDOLYNM-UHFFFAOYSA-N
XLogP4.81
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.77
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 1149684
N-(4-ethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 109029533
N-(3-chloro-4-methoxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2264838
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)propanamide
CID 109029549
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide
CID 142695542
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)hexanamide;hydrochloride
CID 162674778
N-(3,5-dimethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 6457503
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
N'-(2-chlorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268915
4-(4-phenylpiperazin-1-yl)-N-(3,4,5-trichlorophenyl)butanamide
CID 25169359
propan-2-yl 3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 110186525
N-[cyclohexyl(phenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 14208395

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide?
The IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide (CID 142695553) is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide?
The canonical SMILES for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide is COc1ccccc1N1CCN(CCC(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)CC1.
What is the InChIKey of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide?
The InChIKey is PMFRCARZDOLYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl3N3O2/c1-28-18-5-3-2-4-17(18)26-10-8-25(9-11-26)7-6-19(27)24-14-12-15(21)20(23)16(22)13-14/h2-5,12-13H,6-11H2,1H3,(H,24,27).
What are the key properties of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide?
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide has a molecular weight of 442.77 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide is sourced from PubChem (CID 142695553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).