4-(4-amino-2,6-dichlorophenyl)piperazin-2-one

C10H11Cl2N3O — CID 106889764

IUPAC4-(4-amino-2,6-dichlorophenyl)piperazin-2-one
SMILESNc1cc(Cl)c(N2CCNC(=O)C2)c(Cl)c1
InChIInChI=1S/C10H11Cl2N3O/c11-7-3-6(13)4-8(12)10(7)15-2-1-14-9(16)5-15/h3-4H,1-2,5,13H2,(H,14,16)
InChIKeyXIXZXPPBWAJNEF-UHFFFAOYSA-N
MW260.12 g/mol
LogP1.51
Rot. Bonds1

About 4-(4-amino-2,6-dichlorophenyl)piperazin-2-one

4-(4-amino-2,6-dichlorophenyl)piperazin-2-one (PubChem CID 106889764) has the molecular formula C10H11Cl2N3O and a molecular weight of 260.12 g/mol. Its IUPAC name is 4-(4-amino-2,6-dichlorophenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(4-amino-2,6-dichlorophenyl)piperazin-2-one
PubChem CID106889764
Molecular FormulaC10H11Cl2N3O
Molecular Weight260.12 g/mol
Exact Mass259.03
IUPAC Name4-(4-amino-2,6-dichlorophenyl)piperazin-2-one
SMILESNc1cc(Cl)c(N2CCNC(=O)C2)c(Cl)c1
InChIInChI=1S/C10H11Cl2N3O/c11-7-3-6(13)4-8(12)10(7)15-2-1-14-9(16)5-15/h3-4H,1-2,5,13H2,(H,14,16)
InChIKeyXIXZXPPBWAJNEF-UHFFFAOYSA-N
XLogP1.51
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-amino-6-chloro-2-pyridinyl)piperazin-2-one
CID 104918759
3-amino-4-(3-oxopiperazin-1-yl)cyclobut-3-ene-1,2-dione
CID 123935943
4-(4-amino-2-fluorophenyl)piperazin-2-one
CID 28972585
4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)piperazin-2-one
CID 102762375
4-[4-[(1S)-1-aminoethyl]-2-chlorophenyl]piperazin-2-one
CID 78935671
4-(4-chloro-2-fluorophenyl)piperazin-2-one
CID 156503488
4-(6-aminopyrazin-2-yl)piperazin-2-one
CID 78988933
4-(4-amino-2-chlorophenyl)piperazine-2,6-dione
CID 66083498
5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile
CID 122160364
4-(4-amino-3,5-dichlorobenzoyl)piperazin-2-one
CID 82832628
4-(4-chloro-1,8-naphthyridin-2-yl)piperazin-2-one
CID 154784481
4-[3,5-dichloro-6-(methylamino)-2-pyridinyl]piperazin-2-one
CID 102755341

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2,6-dichlorophenyl)piperazin-2-one?
The IUPAC name of 4-(4-amino-2,6-dichlorophenyl)piperazin-2-one (CID 106889764) is 4-(4-amino-2,6-dichlorophenyl)piperazin-2-one.
What is the SMILES notation for 4-(4-amino-2,6-dichlorophenyl)piperazin-2-one?
The canonical SMILES for 4-(4-amino-2,6-dichlorophenyl)piperazin-2-one is Nc1cc(Cl)c(N2CCNC(=O)C2)c(Cl)c1.
What is the InChIKey of 4-(4-amino-2,6-dichlorophenyl)piperazin-2-one?
The InChIKey is XIXZXPPBWAJNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O/c11-7-3-6(13)4-8(12)10(7)15-2-1-14-9(16)5-15/h3-4H,1-2,5,13H2,(H,14,16).
What are the key properties of 4-(4-amino-2,6-dichlorophenyl)piperazin-2-one?
4-(4-amino-2,6-dichlorophenyl)piperazin-2-one has a molecular weight of 260.12 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2,6-dichlorophenyl)piperazin-2-one is sourced from PubChem (CID 106889764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).