1-(2-chlorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one

C20H21ClN2O2 — CID 46036234

IUPAC1-(2-chlorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
SMILESCC1C(=O)N(c2ccccc2Cl)CCN1C(=O)CCc1ccccc1
InChIInChI=1S/C20H21ClN2O2/c1-15-20(25)23(18-10-6-5-9-17(18)21)14-13-22(15)19(24)12-11-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3
InChIKeyMPTSGBLVJRFJDM-UHFFFAOYSA-N
MW356.85 g/mol
LogP3.54
Rot. Bonds4

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

1-(2-chlorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one (PubChem CID 46036234) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
PubChem CID46036234
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name1-(2-chlorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
SMILESCC1C(=O)N(c2ccccc2Cl)CCN1C(=O)CCc1ccccc1
InChIInChI=1S/C20H21ClN2O2/c1-15-20(25)23(18-10-6-5-9-17(18)21)14-13-22(15)19(24)12-11-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3
InChIKeyMPTSGBLVJRFJDM-UHFFFAOYSA-N
XLogP3.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
CID 46036282
1-(2-fluoro-5-methylphenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
CID 46036097
1-(4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
CID 24716469
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
(3S)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
CID 93322248
4-(2-chlorophenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
CID 42847459
(3S)-1-(3-fluoro-4-methylphenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
CID 93290787
N-tert-butyl-4-(2-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 24716736
4-(2-methoxyacetyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 24716597
(3S)-4-(2-chlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 93321800
4-(2-chlorobenzoyl)-1-(2-fluorophenyl)-3-methylpiperazin-2-one
CID 24716325

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one (CID 46036234) is 1-(2-chlorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one is CC1C(=O)N(c2ccccc2Cl)CCN1C(=O)CCc1ccccc1.
What is the InChIKey of 1-(2-chlorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one?
The InChIKey is MPTSGBLVJRFJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-15-20(25)23(18-10-6-5-9-17(18)21)14-13-22(15)19(24)12-11-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one?
1-(2-chlorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one has a molecular weight of 356.85 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one is sourced from PubChem (CID 46036234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).