4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-(4-methylphenyl)piperazin-2-one

C19H19ClN2O3 — CID 70743347

IUPAC4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)C(O)c3cccc(Cl)c3)CC2=O)cc1
InChIInChI=1S/C19H19ClN2O3/c1-13-5-7-16(8-6-13)22-10-9-21(12-17(22)23)19(25)18(24)14-3-2-4-15(20)11-14/h2-8,11,18,24H,9-10,12H2,1H3
InChIKeyNBWLDHGZAOBOAC-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.56
Rot. Bonds3

About 4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-(4-methylphenyl)piperazin-2-one

4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-(4-methylphenyl)piperazin-2-one (PubChem CID 70743347) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-(4-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-(4-methylphenyl)piperazin-2-one
PubChem CID70743347
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)C(O)c3cccc(Cl)c3)CC2=O)cc1
InChIInChI=1S/C19H19ClN2O3/c1-13-5-7-16(8-6-13)22-10-9-21(12-17(22)23)19(25)18(24)14-3-2-4-15(20)11-14/h2-8,11,18,24H,9-10,12H2,1H3
InChIKeyNBWLDHGZAOBOAC-UHFFFAOYSA-N
XLogP2.56
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-(4-methylphenyl)piperazin-2-one?
The IUPAC name of 4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-(4-methylphenyl)piperazin-2-one (CID 70743347) is 4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-(4-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-(4-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-(4-methylphenyl)piperazin-2-one is Cc1ccc(N2CCN(C(=O)C(O)c3cccc(Cl)c3)CC2=O)cc1.
What is the InChIKey of 4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-(4-methylphenyl)piperazin-2-one?
The InChIKey is NBWLDHGZAOBOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-13-5-7-16(8-6-13)22-10-9-21(12-17(22)23)19(25)18(24)14-3-2-4-15(20)11-14/h2-8,11,18,24H,9-10,12H2,1H3.
What are the key properties of 4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-(4-methylphenyl)piperazin-2-one?
4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-(4-methylphenyl)piperazin-2-one has a molecular weight of 358.83 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-(4-methylphenyl)piperazin-2-one is sourced from PubChem (CID 70743347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).