4-(4-phenylpiperazin-1-yl)-N-(3,4,5-trichlorophenyl)butanamide

C20H22Cl3N3O — CID 25169359

IUPAC4-(4-phenylpiperazin-1-yl)-N-(3,4,5-trichlorophenyl)butanamide
SMILESO=C(CCCN1CCN(c2ccccc2)CC1)Nc1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C20H22Cl3N3O/c21-17-13-15(14-18(22)20(17)23)24-19(27)7-4-8-25-9-11-26(12-10-25)16-5-2-1-3-6-16/h1-3,5-6,13-14H,4,7-12H2,(H,24,27)
InChIKeyAWAIIWFYQQLHOS-UHFFFAOYSA-N
MW426.78 g/mol
LogP5.19
Rot. Bonds6

About 4-(4-phenylpiperazin-1-yl)-N-(3,4,5-trichlorophenyl)butanamide

4-(4-phenylpiperazin-1-yl)-N-(3,4,5-trichlorophenyl)butanamide (PubChem CID 25169359) has the molecular formula C20H22Cl3N3O and a molecular weight of 426.78 g/mol. Its IUPAC name is 4-(4-phenylpiperazin-1-yl)-N-(3,4,5-trichlorophenyl)butanamide.

Molecular Properties

Compound Name4-(4-phenylpiperazin-1-yl)-N-(3,4,5-trichlorophenyl)butanamide
PubChem CID25169359
Molecular FormulaC20H22Cl3N3O
Molecular Weight426.78 g/mol
Exact Mass425.08
IUPAC Name4-(4-phenylpiperazin-1-yl)-N-(3,4,5-trichlorophenyl)butanamide
SMILESO=C(CCCN1CCN(c2ccccc2)CC1)Nc1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C20H22Cl3N3O/c21-17-13-15(14-18(22)20(17)23)24-19(27)7-4-8-25-9-11-26(12-10-25)16-5-2-1-3-6-16/h1-3,5-6,13-14H,4,7-12H2,(H,24,27)
InChIKeyAWAIIWFYQQLHOS-UHFFFAOYSA-N
XLogP5.19
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.78
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide
CID 142695542
N-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661841
4-(4-phenylpiperazin-1-yl)-N-quinolin-6-ylbutanamide
CID 45136832
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide
CID 142695553
N-(2,4-dichlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027205
1-(3-chloro-4-methylphenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 22430349
N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661863
N'-(2-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]oxamide
CID 42390241
N-(4-tert-butylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027175
N-(3,4-dichlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029431
4-bromo-N-(3,4,5-trichlorophenyl)butanamide
CID 71446010
N-(4-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027177

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylpiperazin-1-yl)-N-(3,4,5-trichlorophenyl)butanamide?
The IUPAC name of 4-(4-phenylpiperazin-1-yl)-N-(3,4,5-trichlorophenyl)butanamide (CID 25169359) is 4-(4-phenylpiperazin-1-yl)-N-(3,4,5-trichlorophenyl)butanamide.
What is the SMILES notation for 4-(4-phenylpiperazin-1-yl)-N-(3,4,5-trichlorophenyl)butanamide?
The canonical SMILES for 4-(4-phenylpiperazin-1-yl)-N-(3,4,5-trichlorophenyl)butanamide is O=C(CCCN1CCN(c2ccccc2)CC1)Nc1cc(Cl)c(Cl)c(Cl)c1.
What is the InChIKey of 4-(4-phenylpiperazin-1-yl)-N-(3,4,5-trichlorophenyl)butanamide?
The InChIKey is AWAIIWFYQQLHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl3N3O/c21-17-13-15(14-18(22)20(17)23)24-19(27)7-4-8-25-9-11-26(12-10-25)16-5-2-1-3-6-16/h1-3,5-6,13-14H,4,7-12H2,(H,24,27).
What are the key properties of 4-(4-phenylpiperazin-1-yl)-N-(3,4,5-trichlorophenyl)butanamide?
4-(4-phenylpiperazin-1-yl)-N-(3,4,5-trichlorophenyl)butanamide has a molecular weight of 426.78 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylpiperazin-1-yl)-N-(3,4,5-trichlorophenyl)butanamide is sourced from PubChem (CID 25169359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).