(3R)-4-benzyl-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one

C18H18Cl2N2O — CID 93321458

IUPAC(3R)-4-benzyl-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one
SMILESC[C@@H]1C(=O)N(c2ccc(Cl)cc2Cl)CCN1Cc1ccccc1
InChIInChI=1S/C18H18Cl2N2O/c1-13-18(23)22(17-8-7-15(19)11-16(17)20)10-9-21(13)12-14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3/t13-/m1/s1
InChIKeyZCFSDJDRGCAFET-CYBMUJFWSA-N
MW349.26 g/mol
LogP4.23
Rot. Bonds3

About (3R)-4-benzyl-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one

(3R)-4-benzyl-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one (PubChem CID 93321458) has the molecular formula C18H18Cl2N2O and a molecular weight of 349.26 g/mol. Its IUPAC name is (3R)-4-benzyl-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-4-benzyl-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one
PubChem CID93321458
Molecular FormulaC18H18Cl2N2O
Molecular Weight349.26 g/mol
Exact Mass348.08
IUPAC Name(3R)-4-benzyl-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one
SMILESC[C@@H]1C(=O)N(c2ccc(Cl)cc2Cl)CCN1Cc1ccccc1
InChIInChI=1S/C18H18Cl2N2O/c1-13-18(23)22(17-8-7-15(19)11-16(17)20)10-9-21(13)12-14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3/t13-/m1/s1
InChIKeyZCFSDJDRGCAFET-CYBMUJFWSA-N
XLogP4.23
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-benzyl-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one?
The IUPAC name of (3R)-4-benzyl-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one (CID 93321458) is (3R)-4-benzyl-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for (3R)-4-benzyl-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one?
The canonical SMILES for (3R)-4-benzyl-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one is C[C@@H]1C(=O)N(c2ccc(Cl)cc2Cl)CCN1Cc1ccccc1.
What is the InChIKey of (3R)-4-benzyl-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one?
The InChIKey is ZCFSDJDRGCAFET-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18Cl2N2O/c1-13-18(23)22(17-8-7-15(19)11-16(17)20)10-9-21(13)12-14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-4-benzyl-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one?
(3R)-4-benzyl-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one has a molecular weight of 349.26 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-benzyl-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 93321458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).