4-(6-chloro-2-pyridinyl)-3,3-dimethylpiperazin-2-one

C11H14ClN3O — CID 63607835

IUPAC4-(6-chloro-2-pyridinyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1c1cccc(Cl)n1
InChIInChI=1S/C11H14ClN3O/c1-11(2)10(16)13-6-7-15(11)9-5-3-4-8(12)14-9/h3-5H,6-7H2,1-2H3,(H,13,16)
InChIKeyIQQIBYWDEWXWQG-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.45
Rot. Bonds1

About 4-(6-chloro-2-pyridinyl)-3,3-dimethylpiperazin-2-one

4-(6-chloro-2-pyridinyl)-3,3-dimethylpiperazin-2-one (PubChem CID 63607835) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 4-(6-chloro-2-pyridinyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(6-chloro-2-pyridinyl)-3,3-dimethylpiperazin-2-one
PubChem CID63607835
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name4-(6-chloro-2-pyridinyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1c1cccc(Cl)n1
InChIInChI=1S/C11H14ClN3O/c1-11(2)10(16)13-6-7-15(11)9-5-3-4-8(12)14-9/h3-5H,6-7H2,1-2H3,(H,13,16)
InChIKeyIQQIBYWDEWXWQG-UHFFFAOYSA-N
XLogP1.45
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(2-chloro-4-pyridinyl)-3,3-dimethylpiperazin-2-one
CID 102824220
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpiperazin-2-one
CID 106767804
4-(6-chloro-3-nitro-2-pyridinyl)-3,3-dimethylpiperazin-2-one
CID 63608150
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one
CID 63607830
4-[4-(aminomethyl)pyrimidin-2-yl]-3,3-dimethylpiperazin-2-one
CID 107542013
4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-3,3-dimethylpiperazin-2-one
CID 80834891
6-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carboxylic acid
CID 63606423
4-[(3,6-dichloro-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one
CID 63595115
2-(2,2-dimethyl-3-oxopiperazin-1-yl)-6-methylpyridine-4-carbonitrile
CID 114766284
4-(2-amino-5-chlorophenyl)-3,3-dimethylpiperazin-2-one
CID 113315772
4-(2-amino-6-methylphenyl)-3,3-dimethylpiperazin-2-one
CID 113333770
4-(4-amino-6-chloro-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one
CID 80833566

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-pyridinyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(6-chloro-2-pyridinyl)-3,3-dimethylpiperazin-2-one (CID 63607835) is 4-(6-chloro-2-pyridinyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(6-chloro-2-pyridinyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(6-chloro-2-pyridinyl)-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1c1cccc(Cl)n1.
What is the InChIKey of 4-(6-chloro-2-pyridinyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is IQQIBYWDEWXWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-11(2)10(16)13-6-7-15(11)9-5-3-4-8(12)14-9/h3-5H,6-7H2,1-2H3,(H,13,16).
What are the key properties of 4-(6-chloro-2-pyridinyl)-3,3-dimethylpiperazin-2-one?
4-(6-chloro-2-pyridinyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 239.71 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2-pyridinyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63607835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).