3,3-dimethyl-4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-2,6-dione

C13H18N4O2 — CID 66074649

IUPAC3,3-dimethyl-4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-2,6-dione
SMILESCNc1cc(CN2CC(=O)NC(=O)C2(C)C)ccn1
InChIInChI=1S/C13H18N4O2/c1-13(2)12(19)16-11(18)8-17(13)7-9-4-5-15-10(6-9)14-3/h4-6H,7-8H2,1-3H3,(H,14,15)(H,16,18,19)
InChIKeyIHTTWJNPIZWNGR-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.36
Rot. Bonds3

About 3,3-dimethyl-4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-2,6-dione

3,3-dimethyl-4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-2,6-dione (PubChem CID 66074649) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3,3-dimethyl-4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3,3-dimethyl-4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-2,6-dione
PubChem CID66074649
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3,3-dimethyl-4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-2,6-dione
SMILESCNc1cc(CN2CC(=O)NC(=O)C2(C)C)ccn1
InChIInChI=1S/C13H18N4O2/c1-13(2)12(19)16-11(18)8-17(13)7-9-4-5-15-10(6-9)14-3/h4-6H,7-8H2,1-3H3,(H,14,15)(H,16,18,19)
InChIKeyIHTTWJNPIZWNGR-UHFFFAOYSA-N
XLogP0.36
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 9796290
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CID 10884041
CID 11004075
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CID 11346439
CID 11346439
CID 4595252
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CID 4780744
CID 4780744
CID 21625982
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CID 16090844
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CID 11812296
CID 11812296

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-2,6-dione?
The IUPAC name of 3,3-dimethyl-4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-2,6-dione (CID 66074649) is 3,3-dimethyl-4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-2,6-dione.
What is the SMILES notation for 3,3-dimethyl-4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-2,6-dione?
The canonical SMILES for 3,3-dimethyl-4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-2,6-dione is CNc1cc(CN2CC(=O)NC(=O)C2(C)C)ccn1.
What is the InChIKey of 3,3-dimethyl-4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-2,6-dione?
The InChIKey is IHTTWJNPIZWNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-13(2)12(19)16-11(18)8-17(13)7-9-4-5-15-10(6-9)14-3/h4-6H,7-8H2,1-3H3,(H,14,15)(H,16,18,19).
What are the key properties of 3,3-dimethyl-4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-2,6-dione?
3,3-dimethyl-4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-2,6-dione has a molecular weight of 262.31 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-2,6-dione is sourced from PubChem (CID 66074649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).