(3R)-1-(3-chloro-4-methylphenyl)-3-methyl-4-propanoylpiperazin-2-one

C15H19ClN2O2 — CID 93321640

IUPAC(3R)-1-(3-chloro-4-methylphenyl)-3-methyl-4-propanoylpiperazin-2-one
SMILESCCC(=O)N1CCN(c2ccc(C)c(Cl)c2)C(=O)[C@H]1C
InChIInChI=1S/C15H19ClN2O2/c1-4-14(19)17-7-8-18(15(20)11(17)3)12-6-5-10(2)13(16)9-12/h5-6,9,11H,4,7-8H2,1-3H3/t11-/m1/s1
InChIKeyIONDDALXJKPPQR-LLVKDONJSA-N
MW294.78 g/mol
LogP2.62
Rot. Bonds2

About (3R)-1-(3-chloro-4-methylphenyl)-3-methyl-4-propanoylpiperazin-2-one

(3R)-1-(3-chloro-4-methylphenyl)-3-methyl-4-propanoylpiperazin-2-one (PubChem CID 93321640) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is (3R)-1-(3-chloro-4-methylphenyl)-3-methyl-4-propanoylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-1-(3-chloro-4-methylphenyl)-3-methyl-4-propanoylpiperazin-2-one
PubChem CID93321640
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name(3R)-1-(3-chloro-4-methylphenyl)-3-methyl-4-propanoylpiperazin-2-one
SMILESCCC(=O)N1CCN(c2ccc(C)c(Cl)c2)C(=O)[C@H]1C
InChIInChI=1S/C15H19ClN2O2/c1-4-14(19)17-7-8-18(15(20)11(17)3)12-6-5-10(2)13(16)9-12/h5-6,9,11H,4,7-8H2,1-3H3/t11-/m1/s1
InChIKeyIONDDALXJKPPQR-LLVKDONJSA-N
XLogP2.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one
CID 24716639
1-(3-chloro-4-methylphenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036453
(3S)-4-(3,3-dimethylbutanoyl)-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one
CID 93322014
(2S)-4-(3,4-dimethylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
CID 93322045
4-(3,3-dimethylbutanoyl)-1-(3-fluoro-4-methylphenyl)-3-methylpiperazin-2-one
CID 24716462
1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one
CID 24718908
1-(3-chloro-4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
CID 46036282
(3R)-1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one
CID 93321473
1-(4-chlorophenyl)-4-(3,3-dimethylbutanoyl)-3-methylpiperazin-2-one
CID 24715898
methyl 4-[[4-(3-chloro-4-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]methyl]benzoate
CID 42682810
methyl 4-[[(2S)-4-(3-chloro-4-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]methyl]benzoate
CID 93322458
methyl 4-[[(2R)-4-(3-chloro-4-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]methyl]benzoate
CID 93322457

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-chloro-4-methylphenyl)-3-methyl-4-propanoylpiperazin-2-one?
The IUPAC name of (3R)-1-(3-chloro-4-methylphenyl)-3-methyl-4-propanoylpiperazin-2-one (CID 93321640) is (3R)-1-(3-chloro-4-methylphenyl)-3-methyl-4-propanoylpiperazin-2-one.
What is the SMILES notation for (3R)-1-(3-chloro-4-methylphenyl)-3-methyl-4-propanoylpiperazin-2-one?
The canonical SMILES for (3R)-1-(3-chloro-4-methylphenyl)-3-methyl-4-propanoylpiperazin-2-one is CCC(=O)N1CCN(c2ccc(C)c(Cl)c2)C(=O)[C@H]1C.
What is the InChIKey of (3R)-1-(3-chloro-4-methylphenyl)-3-methyl-4-propanoylpiperazin-2-one?
The InChIKey is IONDDALXJKPPQR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-4-14(19)17-7-8-18(15(20)11(17)3)12-6-5-10(2)13(16)9-12/h5-6,9,11H,4,7-8H2,1-3H3/t11-/m1/s1.
What are the key properties of (3R)-1-(3-chloro-4-methylphenyl)-3-methyl-4-propanoylpiperazin-2-one?
(3R)-1-(3-chloro-4-methylphenyl)-3-methyl-4-propanoylpiperazin-2-one has a molecular weight of 294.78 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-chloro-4-methylphenyl)-3-methyl-4-propanoylpiperazin-2-one is sourced from PubChem (CID 93321640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).