4-(3,4-dichloro-2-hydroxybenzoyl)-3-(2-methylpropyl)piperazin-2-one

C15H18Cl2N2O3 — CID 136534377

IUPAC4-(3,4-dichloro-2-hydroxybenzoyl)-3-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CC1C(=O)NCCN1C(=O)c1ccc(Cl)c(Cl)c1O
InChIInChI=1S/C15H18Cl2N2O3/c1-8(2)7-11-14(21)18-5-6-19(11)15(22)9-3-4-10(16)12(17)13(9)20/h3-4,8,11,20H,5-7H2,1-2H3,(H,18,21)
InChIKeyJDXQCMFMLKPFRI-UHFFFAOYSA-N
MW345.23 g/mol
LogP2.69
Rot. Bonds3

About 4-(3,4-dichloro-2-hydroxybenzoyl)-3-(2-methylpropyl)piperazin-2-one

4-(3,4-dichloro-2-hydroxybenzoyl)-3-(2-methylpropyl)piperazin-2-one (PubChem CID 136534377) has the molecular formula C15H18Cl2N2O3 and a molecular weight of 345.23 g/mol. Its IUPAC name is 4-(3,4-dichloro-2-hydroxybenzoyl)-3-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3,4-dichloro-2-hydroxybenzoyl)-3-(2-methylpropyl)piperazin-2-one
PubChem CID136534377
Molecular FormulaC15H18Cl2N2O3
Molecular Weight345.23 g/mol
Exact Mass344.07
IUPAC Name4-(3,4-dichloro-2-hydroxybenzoyl)-3-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CC1C(=O)NCCN1C(=O)c1ccc(Cl)c(Cl)c1O
InChIInChI=1S/C15H18Cl2N2O3/c1-8(2)7-11-14(21)18-5-6-19(11)15(22)9-3-4-10(16)12(17)13(9)20/h3-4,8,11,20H,5-7H2,1-2H3,(H,18,21)
InChIKeyJDXQCMFMLKPFRI-UHFFFAOYSA-N
XLogP2.69
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chloro-5-sulfanylbenzoyl)-3-ethylpiperazin-2-one
CID 107029813
4-(4-hydroxyisoquinoline-3-carbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 167868714
4-(4-bromo-2-chlorobenzoyl)-3-ethylpiperazin-2-one
CID 63600677
(3R)-4-(2-cyclopropylpyrimidine-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 125144591
4-(5-tert-butyl-1,2-oxazole-3-carbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 146124789
4-(2,2-difluorocyclopropanecarbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 122151737
4-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 131960398
4-(2-tert-butyl-1,3-thiazole-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 138997378
(3R)-4-(2-chloro-3-methylbenzoyl)-3-(2-hydroxyethyl)piperazin-2-one
CID 29256098
(2S)-N-[3-(dimethylamino)-2-methylphenyl]-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
CID 99826136
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
methyl 4-[2-[(2S)-2-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]benzoate
CID 125144565

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichloro-2-hydroxybenzoyl)-3-(2-methylpropyl)piperazin-2-one?
The IUPAC name of 4-(3,4-dichloro-2-hydroxybenzoyl)-3-(2-methylpropyl)piperazin-2-one (CID 136534377) is 4-(3,4-dichloro-2-hydroxybenzoyl)-3-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 4-(3,4-dichloro-2-hydroxybenzoyl)-3-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 4-(3,4-dichloro-2-hydroxybenzoyl)-3-(2-methylpropyl)piperazin-2-one is CC(C)CC1C(=O)NCCN1C(=O)c1ccc(Cl)c(Cl)c1O.
What is the InChIKey of 4-(3,4-dichloro-2-hydroxybenzoyl)-3-(2-methylpropyl)piperazin-2-one?
The InChIKey is JDXQCMFMLKPFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O3/c1-8(2)7-11-14(21)18-5-6-19(11)15(22)9-3-4-10(16)12(17)13(9)20/h3-4,8,11,20H,5-7H2,1-2H3,(H,18,21).
What are the key properties of 4-(3,4-dichloro-2-hydroxybenzoyl)-3-(2-methylpropyl)piperazin-2-one?
4-(3,4-dichloro-2-hydroxybenzoyl)-3-(2-methylpropyl)piperazin-2-one has a molecular weight of 345.23 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichloro-2-hydroxybenzoyl)-3-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 136534377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).