5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-(4-pyridin-2-ylphenyl)pentanamide

C26H28Cl2N4O — CID 162344971

IUPAC5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-(4-pyridin-2-ylphenyl)pentanamide
SMILESO=C(CCCCN1CCN(c2cccc(Cl)c2Cl)CC1)Nc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C26H28Cl2N4O/c27-22-6-5-8-24(26(22)28)32-18-16-31(17-19-32)15-4-2-9-25(33)30-21-12-10-20(11-13-21)23-7-1-3-14-29-23/h1,3,5-8,10-14H,2,4,9,15-19H2,(H,30,33)
InChIKeyIOXVASZCJRRQKL-UHFFFAOYSA-N
MW483.44 g/mol
LogP5.99
Rot. Bonds8

About 5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-(4-pyridin-2-ylphenyl)pentanamide

5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-(4-pyridin-2-ylphenyl)pentanamide (PubChem CID 162344971) has the molecular formula C26H28Cl2N4O and a molecular weight of 483.44 g/mol. Its IUPAC name is 5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-(4-pyridin-2-ylphenyl)pentanamide.

Molecular Properties

Compound Name5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-(4-pyridin-2-ylphenyl)pentanamide
PubChem CID162344971
Molecular FormulaC26H28Cl2N4O
Molecular Weight483.44 g/mol
Exact Mass482.16
IUPAC Name5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-(4-pyridin-2-ylphenyl)pentanamide
SMILESO=C(CCCCN1CCN(c2cccc(Cl)c2Cl)CC1)Nc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C26H28Cl2N4O/c27-22-6-5-8-24(26(22)28)32-18-16-31(17-19-32)15-4-2-9-25(33)30-21-12-10-20(11-13-21)23-7-1-3-14-29-23/h1,3,5-8,10-14H,2,4,9,15-19H2,(H,30,33)
InChIKeyIOXVASZCJRRQKL-UHFFFAOYSA-N
XLogP5.99
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.44
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-quinolin-2-ylpentanamide
CID 162787951
1-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-pyridin-2-ylpyrrole-3-carboxamide
CID 68572857
N-[4-[4-(2,3-dichlorophenyl)-1-oxidopiperazin-1-ium-1-yl]but-2-enyl]-4-pyridin-2-ylbenzamide
CID 75025801
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-1-propyl-5-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
CID 45278565
4-[4-(2-chlorophenyl)piperazin-1-yl]butanehydrazide
CID 63571743
5-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)pentanamide
CID 118735725
N-(4-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 109030344
2-[(E)-5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentylideneamino]pyridin-3-ol
CID 11350302
1-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)hexanamide;hydrochloride
CID 162674778
4-(4-phenylpiperazin-1-yl)-N-(3,4,5-trichlorophenyl)butanamide
CID 25169359
2-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]pyridine-3-carboxylic acid
CID 50954565

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-(4-pyridin-2-ylphenyl)pentanamide?
The IUPAC name of 5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-(4-pyridin-2-ylphenyl)pentanamide (CID 162344971) is 5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-(4-pyridin-2-ylphenyl)pentanamide.
What is the SMILES notation for 5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-(4-pyridin-2-ylphenyl)pentanamide?
The canonical SMILES for 5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-(4-pyridin-2-ylphenyl)pentanamide is O=C(CCCCN1CCN(c2cccc(Cl)c2Cl)CC1)Nc1ccc(-c2ccccn2)cc1.
What is the InChIKey of 5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-(4-pyridin-2-ylphenyl)pentanamide?
The InChIKey is IOXVASZCJRRQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Cl2N4O/c27-22-6-5-8-24(26(22)28)32-18-16-31(17-19-32)15-4-2-9-25(33)30-21-12-10-20(11-13-21)23-7-1-3-14-29-23/h1,3,5-8,10-14H,2,4,9,15-19H2,(H,30,33).
What are the key properties of 5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-(4-pyridin-2-ylphenyl)pentanamide?
5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-(4-pyridin-2-ylphenyl)pentanamide has a molecular weight of 483.44 g/mol, XLogP of 5.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-(4-pyridin-2-ylphenyl)pentanamide is sourced from PubChem (CID 162344971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).