4-[6-(dimethylamino)pyridine-3-carbonyl]-3,3-dimethylpiperazin-2-one

C14H20N4O2 — CID 63362373

IUPAC4-[6-(dimethylamino)pyridine-3-carbonyl]-3,3-dimethylpiperazin-2-one
SMILESCN(C)c1ccc(C(=O)N2CCNC(=O)C2(C)C)cn1
InChIInChI=1S/C14H20N4O2/c1-14(2)13(20)15-7-8-18(14)12(19)10-5-6-11(16-9-10)17(3)4/h5-6,9H,7-8H2,1-4H3,(H,15,20)
InChIKeyYXOSQPVTXUJWJJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.50
Rot. Bonds2

About 4-[6-(dimethylamino)pyridine-3-carbonyl]-3,3-dimethylpiperazin-2-one

4-[6-(dimethylamino)pyridine-3-carbonyl]-3,3-dimethylpiperazin-2-one (PubChem CID 63362373) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[6-(dimethylamino)pyridine-3-carbonyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[6-(dimethylamino)pyridine-3-carbonyl]-3,3-dimethylpiperazin-2-one
PubChem CID63362373
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name4-[6-(dimethylamino)pyridine-3-carbonyl]-3,3-dimethylpiperazin-2-one
SMILESCN(C)c1ccc(C(=O)N2CCNC(=O)C2(C)C)cn1
InChIInChI=1S/C14H20N4O2/c1-14(2)13(20)15-7-8-18(14)12(19)10-5-6-11(16-9-10)17(3)4/h5-6,9H,7-8H2,1-4H3,(H,15,20)
InChIKeyYXOSQPVTXUJWJJ-UHFFFAOYSA-N
XLogP0.50
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(dimethylamino)pyridine-3-carbonyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[6-(dimethylamino)pyridine-3-carbonyl]-3,3-dimethylpiperazin-2-one (CID 63362373) is 4-[6-(dimethylamino)pyridine-3-carbonyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[6-(dimethylamino)pyridine-3-carbonyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[6-(dimethylamino)pyridine-3-carbonyl]-3,3-dimethylpiperazin-2-one is CN(C)c1ccc(C(=O)N2CCNC(=O)C2(C)C)cn1.
What is the InChIKey of 4-[6-(dimethylamino)pyridine-3-carbonyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is YXOSQPVTXUJWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-14(2)13(20)15-7-8-18(14)12(19)10-5-6-11(16-9-10)17(3)4/h5-6,9H,7-8H2,1-4H3,(H,15,20).
What are the key properties of 4-[6-(dimethylamino)pyridine-3-carbonyl]-3,3-dimethylpiperazin-2-one?
4-[6-(dimethylamino)pyridine-3-carbonyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 276.34 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(dimethylamino)pyridine-3-carbonyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63362373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).