4,4-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2,6-dione

C12H17N3O2 — CID 60977012

IUPAC4,4-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2,6-dione
SMILESCc1[nH]ncc1CN1C(=O)CC(C)(C)CC1=O
InChIInChI=1S/C12H17N3O2/c1-8-9(6-13-14-8)7-15-10(16)4-12(2,3)5-11(15)17/h6H,4-5,7H2,1-3H3,(H,13,14)
InChIKeyKVJHEJWUWYGTQA-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.39
Rot. Bonds2

About 4,4-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2,6-dione

4,4-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2,6-dione (PubChem CID 60977012) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4,4-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name4,4-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2,6-dione
PubChem CID60977012
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4,4-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2,6-dione
SMILESCc1[nH]ncc1CN1C(=O)CC(C)(C)CC1=O
InChIInChI=1S/C12H17N3O2/c1-8-9(6-13-14-8)7-15-10(16)4-12(2,3)5-11(15)17/h6H,4-5,7H2,1-3H3,(H,13,14)
InChIKeyKVJHEJWUWYGTQA-UHFFFAOYSA-N
XLogP1.39
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione
CID 65298014
3-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 60977456
3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione
CID 60977307
(3aR,7aS)-2-[(5-methyl-1H-pyrazol-4-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 98408871
4,4-dimethyl-1-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2,6-dione
CID 60977441
1-[(5-amino-1H-pyrazol-4-yl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 79531067
1-[(5-amino-1-methylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione
CID 79530277
2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 60976690
1-[(2-bromophenyl)methyl]-4,4-dimethylpiperidine-2,6-dione
CID 60975356
4-[(5-methyl-1H-pyrazol-4-yl)methyl]thiomorpholine
CID 131089524
1-[(5-bromo-2-pyridinyl)methyl]-4,4-dimethylpiperidine-2,6-dione
CID 113455679
1-[(5-amino-1H-pyrazol-4-yl)methyl]-4-methylpiperidine-2,6-dione
CID 79530780

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2,6-dione?
The IUPAC name of 4,4-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2,6-dione (CID 60977012) is 4,4-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2,6-dione.
What is the SMILES notation for 4,4-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2,6-dione?
The canonical SMILES for 4,4-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2,6-dione is Cc1[nH]ncc1CN1C(=O)CC(C)(C)CC1=O.
What is the InChIKey of 4,4-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2,6-dione?
The InChIKey is KVJHEJWUWYGTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-9(6-13-14-8)7-15-10(16)4-12(2,3)5-11(15)17/h6H,4-5,7H2,1-3H3,(H,13,14).
What are the key properties of 4,4-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2,6-dione?
4,4-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2,6-dione has a molecular weight of 235.29 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2,6-dione is sourced from PubChem (CID 60977012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).