4-(2,2-dimethylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione

C14H22N2O3 — CID 107180561

IUPAC4-(2,2-dimethylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)C1CCCC1(C)C
InChIInChI=1S/C14H22N2O3/c1-4-10-12(18)15-11(17)8-16(10)13(19)9-6-5-7-14(9,2)3/h9-10H,4-8H2,1-3H3,(H,15,17,18)
InChIKeyJEJKSBJXRKUWDU-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.08
Rot. Bonds2

About 4-(2,2-dimethylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione

4-(2,2-dimethylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione (PubChem CID 107180561) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(2,2-dimethylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2,2-dimethylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione
PubChem CID107180561
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-(2,2-dimethylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)C1CCCC1(C)C
InChIInChI=1S/C14H22N2O3/c1-4-10-12(18)15-11(17)8-16(10)13(19)9-6-5-7-14(9,2)3/h9-10H,4-8H2,1-3H3,(H,15,17,18)
InChIKeyJEJKSBJXRKUWDU-UHFFFAOYSA-N
XLogP1.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.08
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

4-(2-amino-1-methylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione
CID 82768361
3-ethyl-4-[(2S)-oxolane-2-carbonyl]piperazine-2,6-dione
CID 113462493
3-ethyl-4-[(3S)-piperidine-3-carbonyl]piperazine-2,6-dione
CID 81134425
4-[2-(1-aminocyclobutyl)acetyl]-3-ethylpiperazine-2,6-dione
CID 79854148
4-(2-aminoacetyl)-3-ethylpiperazine-2,6-dione
CID 66069530
4-(2-chloroacetyl)-3-ethylpiperazine-2,6-dione
CID 66068113
4-(2,3-dihydro-1H-indene-2-carbonyl)-3-ethylpiperazine-2,6-dione
CID 106893244
4-[2-(cyclopentylamino)acetyl]-3-ethylpiperazine-2,6-dione
CID 66067412
2-ethyl-3,5-dioxo-N-propylpiperazine-1-carboxamide
CID 66068741
4-(2,3-dimethylbutanoyl)-3-ethylpiperazine-2,6-dione
CID 66069304
4-(2-ethyl-3,5-dioxopiperazin-1-yl)-4-oxobutanoic acid
CID 66067143
4-[(2R)-2-amino-4-methylpentanoyl]-3-ethylpiperazine-2,6-dione
CID 104903657

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-(2,2-dimethylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione (CID 107180561) is 4-(2,2-dimethylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2,2-dimethylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-(2,2-dimethylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(=O)C1CCCC1(C)C.
What is the InChIKey of 4-(2,2-dimethylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione?
The InChIKey is JEJKSBJXRKUWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-10-12(18)15-11(17)8-16(10)13(19)9-6-5-7-14(9,2)3/h9-10H,4-8H2,1-3H3,(H,15,17,18).
What are the key properties of 4-(2,2-dimethylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione?
4-(2,2-dimethylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione has a molecular weight of 266.34 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 107180561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).