(3S)-4-acetyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one

C13H15ClN2O2 — CID 93288984

IUPAC(3S)-4-acetyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
SMILESCC(=O)N1CCN(c2ccc(Cl)cc2)C(=O)[C@@H]1C
InChIInChI=1S/C13H15ClN2O2/c1-9-13(18)16(8-7-15(9)10(2)17)12-5-3-11(14)4-6-12/h3-6,9H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyATKYUNFCZYJODI-VIFPVBQESA-N
MW266.73 g/mol
LogP1.92
Rot. Bonds1

About (3S)-4-acetyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one

(3S)-4-acetyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one (PubChem CID 93288984) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is (3S)-4-acetyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-4-acetyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
PubChem CID93288984
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name(3S)-4-acetyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
SMILESCC(=O)N1CCN(c2ccc(Cl)cc2)C(=O)[C@@H]1C
InChIInChI=1S/C13H15ClN2O2/c1-9-13(18)16(8-7-15(9)10(2)17)12-5-3-11(14)4-6-12/h3-6,9H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyATKYUNFCZYJODI-VIFPVBQESA-N
XLogP1.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-3-methyl-1-(4-methylphenyl)piperazin-2-one
CID 24716337
4-benzoyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
CID 24716215
(3R)-1-(4-chlorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93321834
1-(4-chlorophenyl)-4-(3,3-dimethylbutanoyl)-3-methylpiperazin-2-one
CID 24715898
(3R)-4-(4-bromobenzoyl)-1-(4-chlorophenyl)-3-methylpiperazin-2-one
CID 93322933
4-acetyl-1-(4-chloro-2-methylphenyl)-3-methylpiperazin-2-one
CID 24716399
4-acetyl-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one
CID 24715869
3-methyl-4-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one
CID 24715958
1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one
CID 24718908
4-(4-chlorobenzoyl)-3-methyl-1-(3-methylphenyl)piperazin-2-one
CID 42847343
(3S)-4-(5-chloro-2-methylbenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 97135197
(3R)-4-benzoyl-1-(3-chloro-4-fluorophenyl)-3-methylpiperazin-2-one
CID 93322159

Frequently Asked Questions

What is the IUPAC name of (3S)-4-acetyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one?
The IUPAC name of (3S)-4-acetyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one (CID 93288984) is (3S)-4-acetyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for (3S)-4-acetyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one?
The canonical SMILES for (3S)-4-acetyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one is CC(=O)N1CCN(c2ccc(Cl)cc2)C(=O)[C@@H]1C.
What is the InChIKey of (3S)-4-acetyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one?
The InChIKey is ATKYUNFCZYJODI-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-9-13(18)16(8-7-15(9)10(2)17)12-5-3-11(14)4-6-12/h3-6,9H,7-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (3S)-4-acetyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one?
(3S)-4-acetyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one has a molecular weight of 266.73 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-acetyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 93288984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).