3,3-dimethyl-4-(pyridine-3-carbonyl)piperazin-2-one

C12H15N3O2 — CID 63362105

IUPAC3,3-dimethyl-4-(pyridine-3-carbonyl)piperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)c1cccnc1
InChIInChI=1S/C12H15N3O2/c1-12(2)11(17)14-6-7-15(12)10(16)9-4-3-5-13-8-9/h3-5,8H,6-7H2,1-2H3,(H,14,17)
InChIKeyKAZBGCFVSAMZIQ-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.43
Rot. Bonds1

About 3,3-dimethyl-4-(pyridine-3-carbonyl)piperazin-2-one

3,3-dimethyl-4-(pyridine-3-carbonyl)piperazin-2-one (PubChem CID 63362105) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3,3-dimethyl-4-(pyridine-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-(pyridine-3-carbonyl)piperazin-2-one
PubChem CID63362105
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3,3-dimethyl-4-(pyridine-3-carbonyl)piperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)c1cccnc1
InChIInChI=1S/C12H15N3O2/c1-12(2)11(17)14-6-7-15(12)10(16)9-4-3-5-13-8-9/h3-5,8H,6-7H2,1-2H3,(H,14,17)
InChIKeyKAZBGCFVSAMZIQ-UHFFFAOYSA-N
XLogP0.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[6-(dimethylamino)pyridine-3-carbonyl]-3,3-dimethylpiperazin-2-one
CID 63362373
3,3-dimethyl-4-[(1R,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-2-one
CID 96515108
1-(pyridine-3-carbonyl)imidazolidin-2-one
CID 57266793
4-(3,5-dichlorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 55218363
4-(3,4-difluorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362058
4-(2-chlorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362538
3,3-dimethyl-4-(1H-pyrrole-2-carbonyl)piperazin-2-one
CID 63606368
3,3-dimethyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one
CID 16863828
3,3-dimethyl-4-(quinoline-5-carbonyl)piperazin-2-one
CID 63607746
4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazin-2-one
CID 63744029
3,3-dimethyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one
CID 16863762
4-(2,3-dichlorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63361938

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(pyridine-3-carbonyl)piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-(pyridine-3-carbonyl)piperazin-2-one (CID 63362105) is 3,3-dimethyl-4-(pyridine-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-(pyridine-3-carbonyl)piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-(pyridine-3-carbonyl)piperazin-2-one is CC1(C)C(=O)NCCN1C(=O)c1cccnc1.
What is the InChIKey of 3,3-dimethyl-4-(pyridine-3-carbonyl)piperazin-2-one?
The InChIKey is KAZBGCFVSAMZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-12(2)11(17)14-6-7-15(12)10(16)9-4-3-5-13-8-9/h3-5,8H,6-7H2,1-2H3,(H,14,17).
What are the key properties of 3,3-dimethyl-4-(pyridine-3-carbonyl)piperazin-2-one?
3,3-dimethyl-4-(pyridine-3-carbonyl)piperazin-2-one has a molecular weight of 233.27 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(pyridine-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 63362105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).