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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Related Compounds

1-(4-chloro-2-methoxy-5-methylphenyl)piperidin-4-one
CID 24692834
1-(4-chloro-2-methoxy-5-methylphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113080661
1-(4-chloro-2-methoxy-5-methylphenyl)-3,3-diethyl-1,4-diazepane
CID 64945348
1-(benzenesulfonyl)-4-(4-chloro-2-methoxy-5-methylphenyl)piperazine
CID 113080654
4-(4-chloro-2-methoxy-5-methylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 62896157
4-[4-[(1S)-1-aminoethyl]-2-chlorophenyl]piperazin-2-one
CID 78935671
5-chloro-6-(3-oxopiperazin-1-yl)-1H-indole-2,3-dione
CID 79336846
1-[4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 113080603
4-(4-chloro-2-fluorophenyl)piperazin-2-one
CID 156503488
4-(4-amino-2,6-dichlorophenyl)piperazin-2-one
CID 106889764
2-(4-chloro-2-methoxy-5-methylphenyl)-1,2-thiazol-3-one
CID 82089400
3-butan-2-yl-1-(4-chloro-2-methoxy-5-methylphenyl)-1,4-diazepane
CID 64944553

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).