1-(3-chloro-4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one

C20H20ClFN2O2 — CID 46036282

IUPAC1-(3-chloro-4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
SMILESCC1C(=O)N(c2ccc(F)c(Cl)c2)CCN1C(=O)CCc1ccccc1
InChIInChI=1S/C20H20ClFN2O2/c1-14-20(26)24(16-8-9-18(22)17(21)13-16)12-11-23(14)19(25)10-7-15-5-3-2-4-6-15/h2-6,8-9,13-14H,7,10-12H2,1H3
InChIKeyLEPCMVXWZNUZJP-UHFFFAOYSA-N
MW374.84 g/mol
LogP3.68
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one

1-(3-chloro-4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one (PubChem CID 46036282) has the molecular formula C20H20ClFN2O2 and a molecular weight of 374.84 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
PubChem CID46036282
Molecular FormulaC20H20ClFN2O2
Molecular Weight374.84 g/mol
Exact Mass374.12
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
SMILESCC1C(=O)N(c2ccc(F)c(Cl)c2)CCN1C(=O)CCc1ccccc1
InChIInChI=1S/C20H20ClFN2O2/c1-14-20(26)24(16-8-9-18(22)17(21)13-16)12-11-23(14)19(25)10-7-15-5-3-2-4-6-15/h2-6,8-9,13-14H,7,10-12H2,1H3
InChIKeyLEPCMVXWZNUZJP-UHFFFAOYSA-N
XLogP3.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.84
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(3-fluoro-4-methylphenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
CID 93290787
1-(4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
CID 24716469
(3R)-4-benzoyl-1-(3-chloro-4-fluorophenyl)-3-methylpiperazin-2-one
CID 93322159
(3S)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
CID 93322248
1-(2-chlorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
CID 46036234
1-(2-fluoro-5-methylphenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
CID 46036097
3-methyl-1-(4-nitrophenyl)-4-(3-phenylpropanoyl)piperazin-2-one
CID 46036176
(3S)-3-methyl-1-(4-nitrophenyl)-4-(3-phenylpropanoyl)piperazin-2-one
CID 93321618
1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one
CID 24718908
(3R)-1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one
CID 93321473
(3S)-1-(3-chloro-4-fluorophenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one
CID 93322724
(3R)-1-(3-chloro-4-methylphenyl)-3-methyl-4-propanoylpiperazin-2-one
CID 93321640

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one (CID 46036282) is 1-(3-chloro-4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one is CC1C(=O)N(c2ccc(F)c(Cl)c2)CCN1C(=O)CCc1ccccc1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one?
The InChIKey is LEPCMVXWZNUZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O2/c1-14-20(26)24(16-8-9-18(22)17(21)13-16)12-11-23(14)19(25)10-7-15-5-3-2-4-6-15/h2-6,8-9,13-14H,7,10-12H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one?
1-(3-chloro-4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one has a molecular weight of 374.84 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one is sourced from PubChem (CID 46036282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).