N-(2,6-dichlorophenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C17H16Cl2N4O2 — CID 108532324

IUPACN-(2,6-dichlorophenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(Nc1c(Cl)cccc1Cl)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H16Cl2N4O2/c18-12-4-3-5-13(19)15(12)21-16(24)17(25)23-10-8-22(9-11-23)14-6-1-2-7-20-14/h1-7H,8-11H2,(H,21,24)
InChIKeyFAJPIOLRYUWEIN-UHFFFAOYSA-N
MW379.25 g/mol
LogP2.68
Rot. Bonds2

About N-(2,6-dichlorophenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

N-(2,6-dichlorophenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 108532324) has the molecular formula C17H16Cl2N4O2 and a molecular weight of 379.25 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID108532324
Molecular FormulaC17H16Cl2N4O2
Molecular Weight379.25 g/mol
Exact Mass378.07
IUPAC NameN-(2,6-dichlorophenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(Nc1c(Cl)cccc1Cl)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H16Cl2N4O2/c18-12-4-3-5-13(19)15(12)21-16(24)17(25)23-10-8-22(9-11-23)14-6-1-2-7-20-14/h1-7H,8-11H2,(H,21,24)
InChIKeyFAJPIOLRYUWEIN-UHFFFAOYSA-N
XLogP2.68
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 3450597
N-(4-fluorophenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108512673
(2R)-N-(2,6-dichlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446073
N-tert-butyl-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108506944
N-(5-chloro-2-methoxyphenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108502327
N-(2-hydroxyethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108528029
1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108508501
2-(2-chloro-6-fluorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 8004063
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperidine-4-carboxamide
CID 108532151
N-(4-iodo-2-methylphenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108516460
N-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 43316315
2-chloro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 7974806

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 108532324) is N-(2,6-dichlorophenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is O=C(Nc1c(Cl)cccc1Cl)C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is FAJPIOLRYUWEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O2/c18-12-4-3-5-13(19)15(12)21-16(24)17(25)23-10-8-22(9-11-23)14-6-1-2-7-20-14/h1-7H,8-11H2,(H,21,24).
What are the key properties of N-(2,6-dichlorophenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-(2,6-dichlorophenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 379.25 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 108532324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).