4-(4-ethylpiperidine-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione

C14H23N3O3 — CID 114429212

IUPAC4-(4-ethylpiperidine-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCCC1CCNC(C(=O)N2CC(=O)NC(=O)C2(C)C)C1
InChIInChI=1S/C14H23N3O3/c1-4-9-5-6-15-10(7-9)12(19)17-8-11(18)16-13(20)14(17,2)3/h9-10,15H,4-8H2,1-3H3,(H,16,18,20)
InChIKeyPXJJAPXONCDTLX-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.03
Rot. Bonds2

About 4-(4-ethylpiperidine-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione

4-(4-ethylpiperidine-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione (PubChem CID 114429212) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-(4-ethylpiperidine-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-ethylpiperidine-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione
PubChem CID114429212
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name4-(4-ethylpiperidine-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCCC1CCNC(C(=O)N2CC(=O)NC(=O)C2(C)C)C1
InChIInChI=1S/C14H23N3O3/c1-4-9-5-6-15-10(7-9)12(19)17-8-11(18)16-13(20)14(17,2)3/h9-10,15H,4-8H2,1-3H3,(H,16,18,20)
InChIKeyPXJJAPXONCDTLX-UHFFFAOYSA-N
XLogP0.03
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperidine-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-(4-ethylpiperidine-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione (CID 114429212) is 4-(4-ethylpiperidine-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(4-ethylpiperidine-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-(4-ethylpiperidine-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione is CCC1CCNC(C(=O)N2CC(=O)NC(=O)C2(C)C)C1.
What is the InChIKey of 4-(4-ethylpiperidine-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is PXJJAPXONCDTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-9-5-6-15-10(7-9)12(19)17-8-11(18)16-13(20)14(17,2)3/h9-10,15H,4-8H2,1-3H3,(H,16,18,20).
What are the key properties of 4-(4-ethylpiperidine-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
4-(4-ethylpiperidine-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 281.36 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperidine-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 114429212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).