4-(3-ethoxy-4-methoxybenzoyl)piperazin-2-one

C14H18N2O4 — CID 31095647

IUPAC4-(3-ethoxy-4-methoxybenzoyl)piperazin-2-one
SMILESCCOc1cc(C(=O)N2CCNC(=O)C2)ccc1OC
InChIInChI=1S/C14H18N2O4/c1-3-20-12-8-10(4-5-11(12)19-2)14(18)16-7-6-15-13(17)9-16/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,17)
InChIKeyJGVMTLYSZACOKB-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.67
Rot. Bonds4

About 4-(3-ethoxy-4-methoxybenzoyl)piperazin-2-one

4-(3-ethoxy-4-methoxybenzoyl)piperazin-2-one (PubChem CID 31095647) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-(3-ethoxy-4-methoxybenzoyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3-ethoxy-4-methoxybenzoyl)piperazin-2-one
PubChem CID31095647
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-(3-ethoxy-4-methoxybenzoyl)piperazin-2-one
SMILESCCOc1cc(C(=O)N2CCNC(=O)C2)ccc1OC
InChIInChI=1S/C14H18N2O4/c1-3-20-12-8-10(4-5-11(12)19-2)14(18)16-7-6-15-13(17)9-16/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,17)
InChIKeyJGVMTLYSZACOKB-UHFFFAOYSA-N
XLogP0.67
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethoxy-4-methoxyphenyl)-piperazin-1-ylmethanone
CID 39260978
4-(3-methoxy-4-nitrobenzoyl)piperazin-2-one
CID 115602215
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-ethoxy-4-methoxyphenyl)methanone
CID 38409242
(3,4-diethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400534
4-[4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperazin-2-one
CID 25479313
1,4-diazepan-1-yl-(4-ethoxy-3-methoxyphenyl)methanone
CID 119415903
(3-ethoxy-4-methoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60957769
(3-ethoxy-4-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261492
4-(2,3,4-trimethoxybenzoyl)piperazin-2-one
CID 31096069
2-[(3,4-dimethoxyphenyl)methyl]-1-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]guanidine;hydroiodide
CID 111048695
(3-ethoxy-4-methoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62371667
4-(3-chloro-5-methoxy-4-propan-2-yloxybenzoyl)piperazin-2-one
CID 31095582

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxy-4-methoxybenzoyl)piperazin-2-one?
The IUPAC name of 4-(3-ethoxy-4-methoxybenzoyl)piperazin-2-one (CID 31095647) is 4-(3-ethoxy-4-methoxybenzoyl)piperazin-2-one.
What is the SMILES notation for 4-(3-ethoxy-4-methoxybenzoyl)piperazin-2-one?
The canonical SMILES for 4-(3-ethoxy-4-methoxybenzoyl)piperazin-2-one is CCOc1cc(C(=O)N2CCNC(=O)C2)ccc1OC.
What is the InChIKey of 4-(3-ethoxy-4-methoxybenzoyl)piperazin-2-one?
The InChIKey is JGVMTLYSZACOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-3-20-12-8-10(4-5-11(12)19-2)14(18)16-7-6-15-13(17)9-16/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,17).
What are the key properties of 4-(3-ethoxy-4-methoxybenzoyl)piperazin-2-one?
4-(3-ethoxy-4-methoxybenzoyl)piperazin-2-one has a molecular weight of 278.31 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxy-4-methoxybenzoyl)piperazin-2-one is sourced from PubChem (CID 31095647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).