4-[(2R)-2-hydroxypropanoyl]-1-[(3-methylphenyl)methyl]piperazin-2-one

C15H20N2O3 — CID 95870160

IUPAC4-[(2R)-2-hydroxypropanoyl]-1-[(3-methylphenyl)methyl]piperazin-2-one
SMILESCc1cccc(CN2CCN(C(=O)[C@@H](C)O)CC2=O)c1
InChIInChI=1S/C15H20N2O3/c1-11-4-3-5-13(8-11)9-16-6-7-17(10-14(16)19)15(20)12(2)18/h3-5,8,12,18H,6-7,9-10H2,1-2H3/t12-/m1/s1
InChIKeyCHWHOXXSACEVIC-GFCCVEGCSA-N
MW276.34 g/mol
LogP0.55
Rot. Bonds3

About 4-[(2R)-2-hydroxypropanoyl]-1-[(3-methylphenyl)methyl]piperazin-2-one

4-[(2R)-2-hydroxypropanoyl]-1-[(3-methylphenyl)methyl]piperazin-2-one (PubChem CID 95870160) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[(2R)-2-hydroxypropanoyl]-1-[(3-methylphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(2R)-2-hydroxypropanoyl]-1-[(3-methylphenyl)methyl]piperazin-2-one
PubChem CID95870160
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-[(2R)-2-hydroxypropanoyl]-1-[(3-methylphenyl)methyl]piperazin-2-one
SMILESCc1cccc(CN2CCN(C(=O)[C@@H](C)O)CC2=O)c1
InChIInChI=1S/C15H20N2O3/c1-11-4-3-5-13(8-11)9-16-6-7-17(10-14(16)19)15(20)12(2)18/h3-5,8,12,18H,6-7,9-10H2,1-2H3/t12-/m1/s1
InChIKeyCHWHOXXSACEVIC-GFCCVEGCSA-N
XLogP0.55
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-chlorophenyl)-2-hydroxyacetyl]-1-[(3-methylphenyl)methyl]piperazin-2-one
CID 70782108
1-[(3-methylphenyl)methyl]-4-[(2S)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperazin-2-one
CID 97195772
1-[(3-fluorophenyl)methyl]-4-(2-hydroxy-4-methylpentanoyl)piperazin-2-one
CID 70710923
4-[2-amino-2-(4-methylphenyl)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one;hydrochloride
CID 120668862
4-(2-methoxy-4-methyl-1,3-thiazole-5-carbonyl)-1-[(3-methylphenyl)methyl]piperazin-2-one
CID 70781755
(5R)-5-[3-[4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 97118518
4-(2-hydroxy-2-phenylacetyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 70714022
1-[(3-methylphenyl)methyl]-4-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]piperazin-2-one
CID 95142391
6-hydroxy-4-[(3-methylphenyl)methyl]-3-oxo-1,4-diazepane-1-carboxylic acid
CID 122540010
4-(2-methoxybutanoyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 70753862
methyl N-[(2R)-1-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 96572112
1-[(3,5-dimethylphenyl)methyl]-4-[(2S)-2-(4-methylpyrazol-1-yl)propanoyl]piperazin-2-one
CID 96576364

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-hydroxypropanoyl]-1-[(3-methylphenyl)methyl]piperazin-2-one?
The IUPAC name of 4-[(2R)-2-hydroxypropanoyl]-1-[(3-methylphenyl)methyl]piperazin-2-one (CID 95870160) is 4-[(2R)-2-hydroxypropanoyl]-1-[(3-methylphenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[(2R)-2-hydroxypropanoyl]-1-[(3-methylphenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-[(2R)-2-hydroxypropanoyl]-1-[(3-methylphenyl)methyl]piperazin-2-one is Cc1cccc(CN2CCN(C(=O)[C@@H](C)O)CC2=O)c1.
What is the InChIKey of 4-[(2R)-2-hydroxypropanoyl]-1-[(3-methylphenyl)methyl]piperazin-2-one?
The InChIKey is CHWHOXXSACEVIC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-4-3-5-13(8-11)9-16-6-7-17(10-14(16)19)15(20)12(2)18/h3-5,8,12,18H,6-7,9-10H2,1-2H3/t12-/m1/s1.
What are the key properties of 4-[(2R)-2-hydroxypropanoyl]-1-[(3-methylphenyl)methyl]piperazin-2-one?
4-[(2R)-2-hydroxypropanoyl]-1-[(3-methylphenyl)methyl]piperazin-2-one has a molecular weight of 276.34 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-hydroxypropanoyl]-1-[(3-methylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 95870160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).