4-[(4-chlorophenyl)methyl]-1-(oxiran-2-ylmethyl)piperazin-2-one

C14H17ClN2O2 — CID 25115768

IUPAC4-[(4-chlorophenyl)methyl]-1-(oxiran-2-ylmethyl)piperazin-2-one
SMILESO=C1CN(Cc2ccc(Cl)cc2)CCN1CC1CO1
InChIInChI=1S/C14H17ClN2O2/c15-12-3-1-11(2-4-12)7-16-5-6-17(14(18)9-16)8-13-10-19-13/h1-4,13H,5-10H2
InChIKeyVIXBMZRJRUWLJL-UHFFFAOYSA-N
MW280.75 g/mol
LogP1.38
Rot. Bonds4

About 4-[(4-chlorophenyl)methyl]-1-(oxiran-2-ylmethyl)piperazin-2-one

4-[(4-chlorophenyl)methyl]-1-(oxiran-2-ylmethyl)piperazin-2-one (PubChem CID 25115768) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-1-(oxiran-2-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-1-(oxiran-2-ylmethyl)piperazin-2-one
PubChem CID25115768
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name4-[(4-chlorophenyl)methyl]-1-(oxiran-2-ylmethyl)piperazin-2-one
SMILESO=C1CN(Cc2ccc(Cl)cc2)CCN1CC1CO1
InChIInChI=1S/C14H17ClN2O2/c15-12-3-1-11(2-4-12)7-16-5-6-17(14(18)9-16)8-13-10-19-13/h1-4,13H,5-10H2
InChIKeyVIXBMZRJRUWLJL-UHFFFAOYSA-N
XLogP1.38
TPSA36.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-[(4-chlorophenyl)methyl]-4-(4-hydroxybutyl)piperazin-2-one
CID 111436483
4-[(4-chlorophenyl)methyl]-1-(6-chloropyridazin-3-yl)piperazin-2-one
CID 134795454
4-benzyl-1-ethylpiperazin-2-one;ethane
CID 143408188
1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]piperidin-2-one
CID 155577011
1-ethyl-4-(pyridin-4-ylmethyl)piperazin-2-one
CID 117013569
2-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]isoindole-1,3-dione
CID 18933330
1-ethyl-4-(oxiran-2-ylmethyl)piperazine-2,5-dione
CID 79937304
4-[(4-chlorophenyl)methyl]thiomorpholin-3-one
CID 134110117
4-(1,3-benzodioxol-5-ylmethyl)-1-ethylpiperazin-2-one
CID 117013566
1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
CID 877900
1-benzyl-4-[(2-fluorophenyl)methyl]piperazin-2-one
CID 146080007
4-benzyl-1-(3,3-dimethylbutyl)piperazin-2-one
CID 167436677

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-1-(oxiran-2-ylmethyl)piperazin-2-one?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-1-(oxiran-2-ylmethyl)piperazin-2-one (CID 25115768) is 4-[(4-chlorophenyl)methyl]-1-(oxiran-2-ylmethyl)piperazin-2-one.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-1-(oxiran-2-ylmethyl)piperazin-2-one?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-1-(oxiran-2-ylmethyl)piperazin-2-one is O=C1CN(Cc2ccc(Cl)cc2)CCN1CC1CO1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-1-(oxiran-2-ylmethyl)piperazin-2-one?
The InChIKey is VIXBMZRJRUWLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c15-12-3-1-11(2-4-12)7-16-5-6-17(14(18)9-16)8-13-10-19-13/h1-4,13H,5-10H2.
What are the key properties of 4-[(4-chlorophenyl)methyl]-1-(oxiran-2-ylmethyl)piperazin-2-one?
4-[(4-chlorophenyl)methyl]-1-(oxiran-2-ylmethyl)piperazin-2-one has a molecular weight of 280.75 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-1-(oxiran-2-ylmethyl)piperazin-2-one is sourced from PubChem (CID 25115768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).