1-(5-chloro-2-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione

C15H19ClN2O3 — CID 64961848

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCOc1ccc(Cl)cc1N1CC(=O)NC(CC(C)C)C1=O
InChIInChI=1S/C15H19ClN2O3/c1-9(2)6-11-15(20)18(8-14(19)17-11)12-7-10(16)4-5-13(12)21-3/h4-5,7,9,11H,6,8H2,1-3H3,(H,17,19)
InChIKeyPMOTYVMULDLSBV-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.23
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione

1-(5-chloro-2-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64961848) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID64961848
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCOc1ccc(Cl)cc1N1CC(=O)NC(CC(C)C)C1=O
InChIInChI=1S/C15H19ClN2O3/c1-9(2)6-11-15(20)18(8-14(19)17-11)12-7-10(16)4-5-13(12)21-3/h4-5,7,9,11H,6,8H2,1-3H3,(H,17,19)
InChIKeyPMOTYVMULDLSBV-UHFFFAOYSA-N
XLogP2.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64966541
1-(5-chloro-2-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione
CID 64961745
3-(2-methylpropyl)-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione
CID 64962082
1-(5-bromo-2-methoxyphenyl)-3-ethylpiperazine-2,5-dione
CID 64966626
1-(5-bromo-2,4-difluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 102855290
1-(2,5-difluoro-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 103587706
1-(3-bromo-5-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 82860332
1-(4-chlorophenyl)-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 64961189
3-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine-2,5-dione
CID 64966592
1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64967241
1-(2-bromo-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64962057
(3R)-1-(5-chloro-2-methoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 93323367

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione (CID 64961848) is 1-(5-chloro-2-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione is COc1ccc(Cl)cc1N1CC(=O)NC(CC(C)C)C1=O.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is PMOTYVMULDLSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-9(2)6-11-15(20)18(8-14(19)17-11)12-7-10(16)4-5-13(12)21-3/h4-5,7,9,11H,6,8H2,1-3H3,(H,17,19).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione?
1-(5-chloro-2-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 310.78 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64961848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).