4-benzyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one

C18H19ClN2O — CID 24715820

IUPAC4-benzyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)N(c2ccc(Cl)cc2)CCN1Cc1ccccc1
InChIInChI=1S/C18H19ClN2O/c1-14-18(22)21(17-9-7-16(19)8-10-17)12-11-20(14)13-15-5-3-2-4-6-15/h2-10,14H,11-13H2,1H3
InChIKeyKWUPGQKCMCKSIH-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.58
Rot. Bonds3

About 4-benzyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one

4-benzyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one (PubChem CID 24715820) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 4-benzyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-benzyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
PubChem CID24715820
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name4-benzyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)N(c2ccc(Cl)cc2)CCN1Cc1ccccc1
InChIInChI=1S/C18H19ClN2O/c1-14-18(22)21(17-9-7-16(19)8-10-17)12-11-20(14)13-15-5-3-2-4-6-15/h2-10,14H,11-13H2,1H3
InChIKeyKWUPGQKCMCKSIH-UHFFFAOYSA-N
XLogP3.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzyl-1-(4-bromophenyl)-3-methylpiperazin-2-one
CID 46035819
(3R)-4-benzyl-1-(4-tert-butylphenyl)-3-methylpiperazin-2-one
CID 93321080
(3R)-4-benzyl-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one
CID 93321458
(3S)-4-benzyl-1-(2-fluorophenyl)-3-methylpiperazin-2-one
CID 93322662
4-benzyl-1-(2,4-difluorophenyl)-3-methylpiperazin-2-one
CID 24716306
(3R)-4-[(2,6-difluorophenyl)methyl]-3-methyl-1-(4-phenylphenyl)piperazin-2-one
CID 93322529
(3S)-4-[(2-fluorophenyl)methyl]-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one
CID 93290605
4-benzoyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
CID 24716215
(3R)-1-(3-fluoro-4-methylphenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one
CID 93321035
1-(3-fluoro-4-methylphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 24716309
1-(4-tert-butylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 46035826
1-(2-chlorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 24716560

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-benzyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one (CID 24715820) is 4-benzyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-benzyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-benzyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one is CC1C(=O)N(c2ccc(Cl)cc2)CCN1Cc1ccccc1.
What is the InChIKey of 4-benzyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one?
The InChIKey is KWUPGQKCMCKSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c1-14-18(22)21(17-9-7-16(19)8-10-17)12-11-20(14)13-15-5-3-2-4-6-15/h2-10,14H,11-13H2,1H3.
What are the key properties of 4-benzyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one?
4-benzyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one has a molecular weight of 314.82 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 24715820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).