5-(2,2-dimethylpiperazine-1-carbonyl)-1H-pyridin-2-one

C12H17N3O2 — CID 65462725

IUPAC5-(2,2-dimethylpiperazine-1-carbonyl)-1H-pyridin-2-one
SMILESCC1(C)CNCCN1C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H17N3O2/c1-12(2)8-13-5-6-15(12)11(17)9-3-4-10(16)14-7-9/h3-4,7,13H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyYBURYGJWCOGICT-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.20
Rot. Bonds1

About 5-(2,2-dimethylpiperazine-1-carbonyl)-1H-pyridin-2-one

5-(2,2-dimethylpiperazine-1-carbonyl)-1H-pyridin-2-one (PubChem CID 65462725) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-(2,2-dimethylpiperazine-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(2,2-dimethylpiperazine-1-carbonyl)-1H-pyridin-2-one
PubChem CID65462725
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name5-(2,2-dimethylpiperazine-1-carbonyl)-1H-pyridin-2-one
SMILESCC1(C)CNCCN1C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H17N3O2/c1-12(2)8-13-5-6-15(12)11(17)9-3-4-10(16)14-7-9/h3-4,7,13H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyYBURYGJWCOGICT-UHFFFAOYSA-N
XLogP0.20
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpiperazine-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 5-(2,2-dimethylpiperazine-1-carbonyl)-1H-pyridin-2-one (CID 65462725) is 5-(2,2-dimethylpiperazine-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(2,2-dimethylpiperazine-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(2,2-dimethylpiperazine-1-carbonyl)-1H-pyridin-2-one is CC1(C)CNCCN1C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 5-(2,2-dimethylpiperazine-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is YBURYGJWCOGICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-12(2)8-13-5-6-15(12)11(17)9-3-4-10(16)14-7-9/h3-4,7,13H,5-6,8H2,1-2H3,(H,14,16).
What are the key properties of 5-(2,2-dimethylpiperazine-1-carbonyl)-1H-pyridin-2-one?
5-(2,2-dimethylpiperazine-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 235.29 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpiperazine-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 65462725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).