4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-2-one

C12H15ClN2O2 — CID 117005147

IUPAC4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-2-one
SMILESCOc1cc(Cl)c(C)cc1N1CCNC(=O)C1
InChIInChI=1S/C12H15ClN2O2/c1-8-5-10(11(17-2)6-9(8)13)15-4-3-14-12(16)7-15/h5-6H,3-4,7H2,1-2H3,(H,14,16)
InChIKeyJFZHMUIBEZUFKC-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.59
Rot. Bonds2

About 4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-2-one

4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-2-one (PubChem CID 117005147) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-2-one
PubChem CID117005147
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-2-one
SMILESCOc1cc(Cl)c(C)cc1N1CCNC(=O)C1
InChIInChI=1S/C12H15ClN2O2/c1-8-5-10(11(17-2)6-9(8)13)15-4-3-14-12(16)7-15/h5-6H,3-4,7H2,1-2H3,(H,14,16)
InChIKeyJFZHMUIBEZUFKC-UHFFFAOYSA-N
XLogP1.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-2-one?
The IUPAC name of 4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-2-one (CID 117005147) is 4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-2-one is COc1cc(Cl)c(C)cc1N1CCNC(=O)C1.
What is the InChIKey of 4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-2-one?
The InChIKey is JFZHMUIBEZUFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-8-5-10(11(17-2)6-9(8)13)15-4-3-14-12(16)7-15/h5-6H,3-4,7H2,1-2H3,(H,14,16).
What are the key properties of 4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-2-one?
4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-2-one has a molecular weight of 254.72 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-2-one is sourced from PubChem (CID 117005147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).