4-(2-hydroxy-5-methoxybenzoyl)piperazin-2-one

C12H14N2O4 — CID 60718067

IUPAC4-(2-hydroxy-5-methoxybenzoyl)piperazin-2-one
SMILESCOc1ccc(O)c(C(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C12H14N2O4/c1-18-8-2-3-10(15)9(6-8)12(17)14-5-4-13-11(16)7-14/h2-3,6,15H,4-5,7H2,1H3,(H,13,16)
InChIKeyHPMFTODITCDNPU-UHFFFAOYSA-N
MW250.25 g/mol
LogP-0.03
Rot. Bonds2

About 4-(2-hydroxy-5-methoxybenzoyl)piperazin-2-one

4-(2-hydroxy-5-methoxybenzoyl)piperazin-2-one (PubChem CID 60718067) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 4-(2-hydroxy-5-methoxybenzoyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-hydroxy-5-methoxybenzoyl)piperazin-2-one
PubChem CID60718067
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name4-(2-hydroxy-5-methoxybenzoyl)piperazin-2-one
SMILESCOc1ccc(O)c(C(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C12H14N2O4/c1-18-8-2-3-10(15)9(6-8)12(17)14-5-4-13-11(16)7-14/h2-3,6,15H,4-5,7H2,1H3,(H,13,16)
InChIKeyHPMFTODITCDNPU-UHFFFAOYSA-N
XLogP-0.03
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-methoxy-2-methylquinoline-3-carbonyl)piperazin-2-one
CID 35787500
(3,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone
CID 42940425
4-(2,3,4-trimethoxybenzoyl)piperazin-2-one
CID 31096069
4-(3-methoxypyridine-4-carbonyl)piperazin-2-one
CID 105063980
4-(2,5-dimethylbenzoyl)piperazin-2-one
CID 31096061
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydroxy-5-methoxyphenyl)methanone
CID 63586636
(2-hydroxy-5-methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 112789681
(2-hydroxy-5-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114501379
(2-hydroxy-5-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone
CID 60712175
4-(5-chloro-4-iodo-2-methoxybenzoyl)piperazin-2-one
CID 47169147
(2-hydroxy-5-methoxyphenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 112697873
4-(2,4-dichlorobenzoyl)piperazin-2-one
CID 30288935

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-5-methoxybenzoyl)piperazin-2-one?
The IUPAC name of 4-(2-hydroxy-5-methoxybenzoyl)piperazin-2-one (CID 60718067) is 4-(2-hydroxy-5-methoxybenzoyl)piperazin-2-one.
What is the SMILES notation for 4-(2-hydroxy-5-methoxybenzoyl)piperazin-2-one?
The canonical SMILES for 4-(2-hydroxy-5-methoxybenzoyl)piperazin-2-one is COc1ccc(O)c(C(=O)N2CCNC(=O)C2)c1.
What is the InChIKey of 4-(2-hydroxy-5-methoxybenzoyl)piperazin-2-one?
The InChIKey is HPMFTODITCDNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-18-8-2-3-10(15)9(6-8)12(17)14-5-4-13-11(16)7-14/h2-3,6,15H,4-5,7H2,1H3,(H,13,16).
What are the key properties of 4-(2-hydroxy-5-methoxybenzoyl)piperazin-2-one?
4-(2-hydroxy-5-methoxybenzoyl)piperazin-2-one has a molecular weight of 250.25 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-5-methoxybenzoyl)piperazin-2-one is sourced from PubChem (CID 60718067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).