4-(4-propan-2-yloxybenzoyl)piperazine-2,6-dione

C14H16N2O4 — CID 66085905

IUPAC4-(4-propan-2-yloxybenzoyl)piperazine-2,6-dione
SMILESCC(C)Oc1ccc(C(=O)N2CC(=O)NC(=O)C2)cc1
InChIInChI=1S/C14H16N2O4/c1-9(2)20-11-5-3-10(4-6-11)14(19)16-7-12(17)15-13(18)8-16/h3-6,9H,7-8H2,1-2H3,(H,15,17,18)
InChIKeyCZHMPOCCPMSNEI-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.57
Rot. Bonds3

About 4-(4-propan-2-yloxybenzoyl)piperazine-2,6-dione

4-(4-propan-2-yloxybenzoyl)piperazine-2,6-dione (PubChem CID 66085905) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-(4-propan-2-yloxybenzoyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-propan-2-yloxybenzoyl)piperazine-2,6-dione
PubChem CID66085905
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name4-(4-propan-2-yloxybenzoyl)piperazine-2,6-dione
SMILESCC(C)Oc1ccc(C(=O)N2CC(=O)NC(=O)C2)cc1
InChIInChI=1S/C14H16N2O4/c1-9(2)20-11-5-3-10(4-6-11)14(19)16-7-12(17)15-13(18)8-16/h3-6,9H,7-8H2,1-2H3,(H,15,17,18)
InChIKeyCZHMPOCCPMSNEI-UHFFFAOYSA-N
XLogP0.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(trifluoromethoxy)benzoyl]piperazine-2,6-dione
CID 66084388
4-[4-(dimethylamino)benzoyl]piperazine-2,6-dione
CID 66084706
1-[4-(4-propan-2-yloxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110805535
4-[4-(hydroxymethyl)benzoyl]piperazine-2,6-dione
CID 66083005
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 66262351
1-(4-propan-2-yloxybenzoyl)piperidine-4-carboxylic acid
CID 17200636
4-(4-hydrazinylbenzoyl)piperazine-2,6-dione
CID 66061853
1-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
CID 79778090
3,3-dimethyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one
CID 16863828
1-[4-(4-propan-2-yloxybenzoyl)piperazin-1-yl]butan-1-one
CID 110800028
4-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 77111806
[4-(2-methylbenzoyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 110802129

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-yloxybenzoyl)piperazine-2,6-dione?
The IUPAC name of 4-(4-propan-2-yloxybenzoyl)piperazine-2,6-dione (CID 66085905) is 4-(4-propan-2-yloxybenzoyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(4-propan-2-yloxybenzoyl)piperazine-2,6-dione?
The canonical SMILES for 4-(4-propan-2-yloxybenzoyl)piperazine-2,6-dione is CC(C)Oc1ccc(C(=O)N2CC(=O)NC(=O)C2)cc1.
What is the InChIKey of 4-(4-propan-2-yloxybenzoyl)piperazine-2,6-dione?
The InChIKey is CZHMPOCCPMSNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-9(2)20-11-5-3-10(4-6-11)14(19)16-7-12(17)15-13(18)8-16/h3-6,9H,7-8H2,1-2H3,(H,15,17,18).
What are the key properties of 4-(4-propan-2-yloxybenzoyl)piperazine-2,6-dione?
4-(4-propan-2-yloxybenzoyl)piperazine-2,6-dione has a molecular weight of 276.29 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-yloxybenzoyl)piperazine-2,6-dione is sourced from PubChem (CID 66085905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).