4-(3,5-dimethoxy-4-methylbenzoyl)piperazin-2-one

C14H18N2O4 — CID 4790851

IUPAC4-(3,5-dimethoxy-4-methylbenzoyl)piperazin-2-one
SMILESCOc1cc(C(=O)N2CCNC(=O)C2)cc(OC)c1C
InChIInChI=1S/C14H18N2O4/c1-9-11(19-2)6-10(7-12(9)20-3)14(18)16-5-4-15-13(17)8-16/h6-7H,4-5,8H2,1-3H3,(H,15,17)
InChIKeyGENHMENTHKOIBO-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.58
Rot. Bonds3

About 4-(3,5-dimethoxy-4-methylbenzoyl)piperazin-2-one

4-(3,5-dimethoxy-4-methylbenzoyl)piperazin-2-one (PubChem CID 4790851) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-(3,5-dimethoxy-4-methylbenzoyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3,5-dimethoxy-4-methylbenzoyl)piperazin-2-one
PubChem CID4790851
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-(3,5-dimethoxy-4-methylbenzoyl)piperazin-2-one
SMILESCOc1cc(C(=O)N2CCNC(=O)C2)cc(OC)c1C
InChIInChI=1S/C14H18N2O4/c1-9-11(19-2)6-10(7-12(9)20-3)14(18)16-5-4-15-13(17)8-16/h6-7H,4-5,8H2,1-3H3,(H,15,17)
InChIKeyGENHMENTHKOIBO-UHFFFAOYSA-N
XLogP0.58
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxy-4-methylbenzoyl)piperazin-2-one?
The IUPAC name of 4-(3,5-dimethoxy-4-methylbenzoyl)piperazin-2-one (CID 4790851) is 4-(3,5-dimethoxy-4-methylbenzoyl)piperazin-2-one.
What is the SMILES notation for 4-(3,5-dimethoxy-4-methylbenzoyl)piperazin-2-one?
The canonical SMILES for 4-(3,5-dimethoxy-4-methylbenzoyl)piperazin-2-one is COc1cc(C(=O)N2CCNC(=O)C2)cc(OC)c1C.
What is the InChIKey of 4-(3,5-dimethoxy-4-methylbenzoyl)piperazin-2-one?
The InChIKey is GENHMENTHKOIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9-11(19-2)6-10(7-12(9)20-3)14(18)16-5-4-15-13(17)8-16/h6-7H,4-5,8H2,1-3H3,(H,15,17).
What are the key properties of 4-(3,5-dimethoxy-4-methylbenzoyl)piperazin-2-one?
4-(3,5-dimethoxy-4-methylbenzoyl)piperazin-2-one has a molecular weight of 278.31 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxy-4-methylbenzoyl)piperazin-2-one is sourced from PubChem (CID 4790851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).