1-(2-chlorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one

C18H18ClFN2O — CID 24716560

IUPAC1-(2-chlorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)N(c2ccccc2Cl)CCN1Cc1ccc(F)cc1
InChIInChI=1S/C18H18ClFN2O/c1-13-18(23)22(17-5-3-2-4-16(17)19)11-10-21(13)12-14-6-8-15(20)9-7-14/h2-9,13H,10-12H2,1H3
InChIKeyCCPFOLIRDUDDKY-UHFFFAOYSA-N
MW332.81 g/mol
LogP3.72
Rot. Bonds3

About 1-(2-chlorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one

1-(2-chlorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one (PubChem CID 24716560) has the molecular formula C18H18ClFN2O and a molecular weight of 332.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
PubChem CID24716560
Molecular FormulaC18H18ClFN2O
Molecular Weight332.81 g/mol
Exact Mass332.11
IUPAC Name1-(2-chlorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)N(c2ccccc2Cl)CCN1Cc1ccc(F)cc1
InChIInChI=1S/C18H18ClFN2O/c1-13-18(23)22(17-5-3-2-4-16(17)19)11-10-21(13)12-14-6-8-15(20)9-7-14/h2-9,13H,10-12H2,1H3
InChIKeyCCPFOLIRDUDDKY-UHFFFAOYSA-N
XLogP3.72
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-3-methylpiperazin-2-one
CID 24719502
(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-benzyl-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one
CID 93321458
1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 24715881
1-(2-chlorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one
CID 24716093
1-(3-fluoro-4-methylphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 24716309
4-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 24716569
4-[(4-fluorophenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one
CID 46035767
(3R)-1-(2-ethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 93290632
4-benzyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
CID 24715820
1-(2,3-dimethylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
CID 24716577

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one (CID 24716560) is 1-(2-chlorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one is CC1C(=O)N(c2ccccc2Cl)CCN1Cc1ccc(F)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one?
The InChIKey is CCPFOLIRDUDDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O/c1-13-18(23)22(17-5-3-2-4-16(17)19)11-10-21(13)12-14-6-8-15(20)9-7-14/h2-9,13H,10-12H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one?
1-(2-chlorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one has a molecular weight of 332.81 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 24716560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).