3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-methylpiperidine-2,6-dione

C15H24N4O2 — CID 83090356

IUPAC3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(NCc2cn(C)nc2C(C)(C)C)C1=O
InChIInChI=1S/C15H24N4O2/c1-15(2,3)13-10(9-18(4)17-13)8-16-11-6-7-12(20)19(5)14(11)21/h9,11,16H,6-8H2,1-5H3
InChIKeyVUPBVKCAUQYJIT-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.95
Rot. Bonds3

About 3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-methylpiperidine-2,6-dione

3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-methylpiperidine-2,6-dione (PubChem CID 83090356) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-methylpiperidine-2,6-dione
PubChem CID83090356
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(NCc2cn(C)nc2C(C)(C)C)C1=O
InChIInChI=1S/C15H24N4O2/c1-15(2,3)13-10(9-18(4)17-13)8-16-11-6-7-12(20)19(5)14(11)21/h9,11,16H,6-8H2,1-5H3
InChIKeyVUPBVKCAUQYJIT-UHFFFAOYSA-N
XLogP0.95
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-cyclopropylpropan-2-amine
CID 114110449
4-fluoro-2-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]benzonitrile
CID 107904466
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83089082
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 83075690
3-[(3-hydroxy-3-methylbutyl)amino]-1-methylpiperidine-2,6-dione
CID 79355575
3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpiperidine-2,6-dione
CID 66269271
3-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methylpiperidine-2,6-dione
CID 104791896
3-[(2-hydroxy-2-methylbutyl)amino]-1-methylpiperidine-2,6-dione
CID 114493300
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 83093071
3-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-1-methylpiperidine-2,6-dione
CID 104663909
5-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]furan-3-carboxylic acid
CID 113432528
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-ethylpiperidin-3-amine
CID 83082207

Frequently Asked Questions

What is the IUPAC name of 3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-methylpiperidine-2,6-dione (CID 83090356) is 3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-methylpiperidine-2,6-dione is CN1C(=O)CCC(NCc2cn(C)nc2C(C)(C)C)C1=O.
What is the InChIKey of 3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-methylpiperidine-2,6-dione?
The InChIKey is VUPBVKCAUQYJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-15(2,3)13-10(9-18(4)17-13)8-16-11-6-7-12(20)19(5)14(11)21/h9,11,16H,6-8H2,1-5H3.
What are the key properties of 3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-methylpiperidine-2,6-dione?
3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-methylpiperidine-2,6-dione has a molecular weight of 292.38 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 83090356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).