1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-2-one

C18H16Cl2F2N2O — CID 23022275

IUPAC1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-2-one
SMILESCN1CC(=O)N(c2c(Cl)cccc2Cl)CC1Cc1ccc(F)cc1F
InChIInChI=1S/C18H16Cl2F2N2O/c1-23-10-17(25)24(18-14(19)3-2-4-15(18)20)9-13(23)7-11-5-6-12(21)8-16(11)22/h2-6,8,13H,7,9-10H2,1H3
InChIKeyPDDYLLTVIKHOJT-UHFFFAOYSA-N
MW385.24 g/mol
LogP4.16
Rot. Bonds3

About 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-2-one

1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-2-one (PubChem CID 23022275) has the molecular formula C18H16Cl2F2N2O and a molecular weight of 385.24 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-2-one.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-2-one
PubChem CID23022275
Molecular FormulaC18H16Cl2F2N2O
Molecular Weight385.24 g/mol
Exact Mass384.06
IUPAC Name1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-2-one
SMILESCN1CC(=O)N(c2c(Cl)cccc2Cl)CC1Cc1ccc(F)cc1F
InChIInChI=1S/C18H16Cl2F2N2O/c1-23-10-17(25)24(18-14(19)3-2-4-15(18)20)9-13(23)7-11-5-6-12(21)8-16(11)22/h2-6,8,13H,7,9-10H2,1H3
InChIKeyPDDYLLTVIKHOJT-UHFFFAOYSA-N
XLogP4.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.24
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]benzoic acid
CID 23022250
5-[(2,4-difluorophenyl)methyl]-1-(2,6-dimethylphenyl)piperidin-2-one
CID 10172049
6-[(2,4-difluorophenyl)methyl]-1-methylpiperazin-2-one
CID 116817354
1-[2,6-dichloro-4-(2,5-dihydroxypyrrol-1-yl)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one
CID 91132393
1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)-methoxymethyl]piperidin-2-one
CID 23022202
1-(4-bromo-2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-1,3-diazinan-2-one
CID 10195140
3-amino-1-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]-1-methylurea
CID 10288457
5-[(2,4-difluorophenyl)methyl]-1-(2,4,6-trimethylphenyl)piperidin-2-one
CID 142244835
1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]pyridin-2-one
CID 69224975
N-[4-chloro-3-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]acetamide
CID 23022193
N-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]-4-hydroxybutanamide
CID 10288669
2-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]anilino]-N-(2-hydroxyethyl)acetamide
CID 23022188

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-2-one?
The IUPAC name of 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-2-one (CID 23022275) is 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-2-one.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-2-one?
The canonical SMILES for 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-2-one is CN1CC(=O)N(c2c(Cl)cccc2Cl)CC1Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-2-one?
The InChIKey is PDDYLLTVIKHOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2F2N2O/c1-23-10-17(25)24(18-14(19)3-2-4-15(18)20)9-13(23)7-11-5-6-12(21)8-16(11)22/h2-6,8,13H,7,9-10H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-2-one?
1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-2-one has a molecular weight of 385.24 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-2-one is sourced from PubChem (CID 23022275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).