4-(4-chloro-2-methoxybenzoyl)-1-(2-phenylethyl)piperazine-2,6-dione

C20H19ClN2O4 — CID 71822578

IUPAC4-(4-chloro-2-methoxybenzoyl)-1-(2-phenylethyl)piperazine-2,6-dione
SMILESCOc1cc(Cl)ccc1C(=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1
InChIInChI=1S/C20H19ClN2O4/c1-27-17-11-15(21)7-8-16(17)20(26)22-12-18(24)23(19(25)13-22)10-9-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3
InChIKeyTVIATEHKKMWMGQ-UHFFFAOYSA-N
MW386.84 g/mol
LogP2.40
Rot. Bonds5

About 4-(4-chloro-2-methoxybenzoyl)-1-(2-phenylethyl)piperazine-2,6-dione

4-(4-chloro-2-methoxybenzoyl)-1-(2-phenylethyl)piperazine-2,6-dione (PubChem CID 71822578) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is 4-(4-chloro-2-methoxybenzoyl)-1-(2-phenylethyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-chloro-2-methoxybenzoyl)-1-(2-phenylethyl)piperazine-2,6-dione
PubChem CID71822578
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name4-(4-chloro-2-methoxybenzoyl)-1-(2-phenylethyl)piperazine-2,6-dione
SMILESCOc1cc(Cl)ccc1C(=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1
InChIInChI=1S/C20H19ClN2O4/c1-27-17-11-15(21)7-8-16(17)20(26)22-12-18(24)23(19(25)13-22)10-9-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3
InChIKeyTVIATEHKKMWMGQ-UHFFFAOYSA-N
XLogP2.40
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 52.40
H-Bond Donors ≤ 50
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-chloro-2-methoxybenzoyl)-1-(2-phenylethyl)piperazine-2,6-dione?
The IUPAC name of 4-(4-chloro-2-methoxybenzoyl)-1-(2-phenylethyl)piperazine-2,6-dione (CID 71822578) is 4-(4-chloro-2-methoxybenzoyl)-1-(2-phenylethyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(4-chloro-2-methoxybenzoyl)-1-(2-phenylethyl)piperazine-2,6-dione?
The canonical SMILES for 4-(4-chloro-2-methoxybenzoyl)-1-(2-phenylethyl)piperazine-2,6-dione is COc1cc(Cl)ccc1C(=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1.
What is the InChIKey of 4-(4-chloro-2-methoxybenzoyl)-1-(2-phenylethyl)piperazine-2,6-dione?
The InChIKey is TVIATEHKKMWMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-27-17-11-15(21)7-8-16(17)20(26)22-12-18(24)23(19(25)13-22)10-9-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3.
What are the key properties of 4-(4-chloro-2-methoxybenzoyl)-1-(2-phenylethyl)piperazine-2,6-dione?
4-(4-chloro-2-methoxybenzoyl)-1-(2-phenylethyl)piperazine-2,6-dione has a molecular weight of 386.84 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methoxybenzoyl)-1-(2-phenylethyl)piperazine-2,6-dione is sourced from PubChem (CID 71822578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).