4-(2,3,4-trimethoxybenzoyl)piperazin-2-one

C14H18N2O5 — CID 31096069

IUPAC4-(2,3,4-trimethoxybenzoyl)piperazin-2-one
SMILESCOc1ccc(C(=O)N2CCNC(=O)C2)c(OC)c1OC
InChIInChI=1S/C14H18N2O5/c1-19-10-5-4-9(12(20-2)13(10)21-3)14(18)16-7-6-15-11(17)8-16/h4-5H,6-8H2,1-3H3,(H,15,17)
InChIKeyZLHBPRYNVXBKDA-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.28
Rot. Bonds4

About 4-(2,3,4-trimethoxybenzoyl)piperazin-2-one

4-(2,3,4-trimethoxybenzoyl)piperazin-2-one (PubChem CID 31096069) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-(2,3,4-trimethoxybenzoyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2,3,4-trimethoxybenzoyl)piperazin-2-one
PubChem CID31096069
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name4-(2,3,4-trimethoxybenzoyl)piperazin-2-one
SMILESCOc1ccc(C(=O)N2CCNC(=O)C2)c(OC)c1OC
InChIInChI=1S/C14H18N2O5/c1-19-10-5-4-9(12(20-2)13(10)21-3)14(18)16-7-6-15-11(17)8-16/h4-5H,6-8H2,1-3H3,(H,15,17)
InChIKeyZLHBPRYNVXBKDA-UHFFFAOYSA-N
XLogP0.28
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dimethoxybenzoyl)-1,4-diazepan-5-one
CID 60707925
4-(3-methoxypyridine-4-carbonyl)piperazin-2-one
CID 105063980
azocan-1-yl-(2,3,4-trimethoxyphenyl)methanone
CID 78771101
4-(2-amino-6-methoxybenzoyl)piperazin-2-one
CID 81410266
4-[2-(3-aminopropoxy)-3-methoxybenzoyl]-1,4-diazepan-2-one
CID 118770092
(4-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 71851779
4-(2-hydroxy-5-methoxybenzoyl)piperazin-2-one
CID 60718067
(4-cyclopropylidenepiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 121187010
4-(2-hydroxy-3-methoxybenzoyl)-1,4-diazepan-2-one
CID 62896513
4-(5-chloro-4-iodo-2-methoxybenzoyl)piperazin-2-one
CID 47169147
4-(4-chloro-2-methoxybenzoyl)-1,4-diazepan-2-one
CID 62898123
4-(3-ethoxy-4-methoxybenzoyl)piperazin-2-one
CID 31095647

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4-trimethoxybenzoyl)piperazin-2-one?
The IUPAC name of 4-(2,3,4-trimethoxybenzoyl)piperazin-2-one (CID 31096069) is 4-(2,3,4-trimethoxybenzoyl)piperazin-2-one.
What is the SMILES notation for 4-(2,3,4-trimethoxybenzoyl)piperazin-2-one?
The canonical SMILES for 4-(2,3,4-trimethoxybenzoyl)piperazin-2-one is COc1ccc(C(=O)N2CCNC(=O)C2)c(OC)c1OC.
What is the InChIKey of 4-(2,3,4-trimethoxybenzoyl)piperazin-2-one?
The InChIKey is ZLHBPRYNVXBKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-19-10-5-4-9(12(20-2)13(10)21-3)14(18)16-7-6-15-11(17)8-16/h4-5H,6-8H2,1-3H3,(H,15,17).
What are the key properties of 4-(2,3,4-trimethoxybenzoyl)piperazin-2-one?
4-(2,3,4-trimethoxybenzoyl)piperazin-2-one has a molecular weight of 294.31 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4-trimethoxybenzoyl)piperazin-2-one is sourced from PubChem (CID 31096069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).