3,3-dimethyl-4-(2-piperidin-2-ylethyl)piperazine-2,6-dione

C13H23N3O2 — CID 66075534

IUPAC3,3-dimethyl-4-(2-piperidin-2-ylethyl)piperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1CCC1CCCCN1
InChIInChI=1S/C13H23N3O2/c1-13(2)12(18)15-11(17)9-16(13)8-6-10-5-3-4-7-14-10/h10,14H,3-9H2,1-2H3,(H,15,17,18)
InChIKeyGHHZRRORJDGFJU-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.26
Rot. Bonds3

About 3,3-dimethyl-4-(2-piperidin-2-ylethyl)piperazine-2,6-dione

3,3-dimethyl-4-(2-piperidin-2-ylethyl)piperazine-2,6-dione (PubChem CID 66075534) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3,3-dimethyl-4-(2-piperidin-2-ylethyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3,3-dimethyl-4-(2-piperidin-2-ylethyl)piperazine-2,6-dione
PubChem CID66075534
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3,3-dimethyl-4-(2-piperidin-2-ylethyl)piperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1CCC1CCCCN1
InChIInChI=1S/C13H23N3O2/c1-13(2)12(18)15-11(17)9-16(13)8-6-10-5-3-4-7-14-10/h10,14H,3-9H2,1-2H3,(H,15,17,18)
InChIKeyGHHZRRORJDGFJU-UHFFFAOYSA-N
XLogP0.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(azetidin-3-yl)ethyl]-3,3-dimethylpiperazine-2,6-dione
CID 107390973
4-methyl-1-(2-piperidin-2-ylethyl)pyrrolidin-2-one
CID 63104430
1-(2-piperidin-2-ylethyl)-4-propylimidazolidin-2-one
CID 116980617
3-ethyl-4-(3-pyrrolidin-2-ylpropyl)piperazine-2,6-dione
CID 66069286
4-tert-butyl-1-(2-piperidin-2-ylethyl)pyrrolidin-2-one
CID 113421171
5-methyl-2-(2-piperidin-2-ylethyl)-1H-pyrazol-3-one
CID 84722940
2-(2-piperidin-2-ylethyl)-3H-isoindol-1-one
CID 117030133
4-ethyl-4-methyl-1-(2-piperidin-2-ylethyl)piperidine
CID 55166220
4-methyl-1-(piperidin-2-ylmethyl)pyrrolidin-2-one
CID 63104427
3-ethyl-4-(3-piperidin-2-ylpropanoyl)piperazine-2,6-dione
CID 66068190
1-ethyl-4-(2-piperidin-2-ylethyl)piperazine
CID 43149889
2-(2-piperidin-2-ylethyl)-2-azaspiro[4.5]decane-1,3-dione
CID 43437197

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(2-piperidin-2-ylethyl)piperazine-2,6-dione?
The IUPAC name of 3,3-dimethyl-4-(2-piperidin-2-ylethyl)piperazine-2,6-dione (CID 66075534) is 3,3-dimethyl-4-(2-piperidin-2-ylethyl)piperazine-2,6-dione.
What is the SMILES notation for 3,3-dimethyl-4-(2-piperidin-2-ylethyl)piperazine-2,6-dione?
The canonical SMILES for 3,3-dimethyl-4-(2-piperidin-2-ylethyl)piperazine-2,6-dione is CC1(C)C(=O)NC(=O)CN1CCC1CCCCN1.
What is the InChIKey of 3,3-dimethyl-4-(2-piperidin-2-ylethyl)piperazine-2,6-dione?
The InChIKey is GHHZRRORJDGFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-13(2)12(18)15-11(17)9-16(13)8-6-10-5-3-4-7-14-10/h10,14H,3-9H2,1-2H3,(H,15,17,18).
What are the key properties of 3,3-dimethyl-4-(2-piperidin-2-ylethyl)piperazine-2,6-dione?
3,3-dimethyl-4-(2-piperidin-2-ylethyl)piperazine-2,6-dione has a molecular weight of 253.35 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(2-piperidin-2-ylethyl)piperazine-2,6-dione is sourced from PubChem (CID 66075534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).