4-(3,4-dimethoxybenzoyl)-3-phenylpiperazin-2-one

C19H20N2O4 — CID 110644585

IUPAC4-(3,4-dimethoxybenzoyl)-3-phenylpiperazin-2-one
SMILESCOc1ccc(C(=O)N2CCNC(=O)C2c2ccccc2)cc1OC
InChIInChI=1S/C19H20N2O4/c1-24-15-9-8-14(12-16(15)25-2)19(23)21-11-10-20-18(22)17(21)13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3,(H,20,22)
InChIKeyDRWFAGQBVHEQGM-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.02
Rot. Bonds4

About 4-(3,4-dimethoxybenzoyl)-3-phenylpiperazin-2-one

4-(3,4-dimethoxybenzoyl)-3-phenylpiperazin-2-one (PubChem CID 110644585) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-(3,4-dimethoxybenzoyl)-3-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-(3,4-dimethoxybenzoyl)-3-phenylpiperazin-2-one
PubChem CID110644585
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name4-(3,4-dimethoxybenzoyl)-3-phenylpiperazin-2-one
SMILESCOc1ccc(C(=O)N2CCNC(=O)C2c2ccccc2)cc1OC
InChIInChI=1S/C19H20N2O4/c1-24-15-9-8-14(12-16(15)25-2)19(23)21-11-10-20-18(22)17(21)13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3,(H,20,22)
InChIKeyDRWFAGQBVHEQGM-UHFFFAOYSA-N
XLogP2.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxybenzoyl)-3-phenylpiperazin-2-one?
The IUPAC name of 4-(3,4-dimethoxybenzoyl)-3-phenylpiperazin-2-one (CID 110644585) is 4-(3,4-dimethoxybenzoyl)-3-phenylpiperazin-2-one.
What is the SMILES notation for 4-(3,4-dimethoxybenzoyl)-3-phenylpiperazin-2-one?
The canonical SMILES for 4-(3,4-dimethoxybenzoyl)-3-phenylpiperazin-2-one is COc1ccc(C(=O)N2CCNC(=O)C2c2ccccc2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxybenzoyl)-3-phenylpiperazin-2-one?
The InChIKey is DRWFAGQBVHEQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-24-15-9-8-14(12-16(15)25-2)19(23)21-11-10-20-18(22)17(21)13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3,(H,20,22).
What are the key properties of 4-(3,4-dimethoxybenzoyl)-3-phenylpiperazin-2-one?
4-(3,4-dimethoxybenzoyl)-3-phenylpiperazin-2-one has a molecular weight of 340.38 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxybenzoyl)-3-phenylpiperazin-2-one is sourced from PubChem (CID 110644585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).