(3R)-1,3-dimethyl-4-(2-phenylmethoxyacetyl)piperazin-2-one

C15H20N2O3 — CID 95197684

IUPAC(3R)-1,3-dimethyl-4-(2-phenylmethoxyacetyl)piperazin-2-one
SMILESC[C@@H]1C(=O)N(C)CCN1C(=O)COCc1ccccc1
InChIInChI=1S/C15H20N2O3/c1-12-15(19)16(2)8-9-17(12)14(18)11-20-10-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3/t12-/m1/s1
InChIKeyFELQYAXJWDFVCP-GFCCVEGCSA-N
MW276.34 g/mol
LogP0.89
Rot. Bonds4

About (3R)-1,3-dimethyl-4-(2-phenylmethoxyacetyl)piperazin-2-one

(3R)-1,3-dimethyl-4-(2-phenylmethoxyacetyl)piperazin-2-one (PubChem CID 95197684) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (3R)-1,3-dimethyl-4-(2-phenylmethoxyacetyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-1,3-dimethyl-4-(2-phenylmethoxyacetyl)piperazin-2-one
PubChem CID95197684
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(3R)-1,3-dimethyl-4-(2-phenylmethoxyacetyl)piperazin-2-one
SMILESC[C@@H]1C(=O)N(C)CCN1C(=O)COCc1ccccc1
InChIInChI=1S/C15H20N2O3/c1-12-15(19)16(2)8-9-17(12)14(18)11-20-10-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3/t12-/m1/s1
InChIKeyFELQYAXJWDFVCP-GFCCVEGCSA-N
XLogP0.89
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-fluorophenoxy)acetyl]-1,3-dimethylpiperazin-2-one
CID 110708288
N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide
CID 110746863
N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-phenylmethoxyacetamide
CID 124607045
4-[2-(3-fluorophenoxy)acetyl]-1,3-dimethylpiperazin-2-one
CID 110708289
4-[3-(3-methoxyphenyl)propanoyl]-1,3-dimethylpiperazin-2-one
CID 110708267
4-[2-(4-bromophenyl)acetyl]-1,3-dimethylpiperazin-2-one
CID 110708285
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylmethoxyethanone
CID 134054456
(3R)-1,3-dimethyl-4-(2-phenylbenzoyl)piperazin-2-one
CID 95199734
4-[2-(4-ethoxyphenyl)acetyl]-1,3-dimethylpiperazin-2-one
CID 110741176
1-(azepan-1-yl)-2-phenylmethoxyethanone
CID 60646013
1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone
CID 43416001
(3S)-1,3-dimethyl-4-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one
CID 25282912

Frequently Asked Questions

What is the IUPAC name of (3R)-1,3-dimethyl-4-(2-phenylmethoxyacetyl)piperazin-2-one?
The IUPAC name of (3R)-1,3-dimethyl-4-(2-phenylmethoxyacetyl)piperazin-2-one (CID 95197684) is (3R)-1,3-dimethyl-4-(2-phenylmethoxyacetyl)piperazin-2-one.
What is the SMILES notation for (3R)-1,3-dimethyl-4-(2-phenylmethoxyacetyl)piperazin-2-one?
The canonical SMILES for (3R)-1,3-dimethyl-4-(2-phenylmethoxyacetyl)piperazin-2-one is C[C@@H]1C(=O)N(C)CCN1C(=O)COCc1ccccc1.
What is the InChIKey of (3R)-1,3-dimethyl-4-(2-phenylmethoxyacetyl)piperazin-2-one?
The InChIKey is FELQYAXJWDFVCP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-12-15(19)16(2)8-9-17(12)14(18)11-20-10-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-1,3-dimethyl-4-(2-phenylmethoxyacetyl)piperazin-2-one?
(3R)-1,3-dimethyl-4-(2-phenylmethoxyacetyl)piperazin-2-one has a molecular weight of 276.34 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,3-dimethyl-4-(2-phenylmethoxyacetyl)piperazin-2-one is sourced from PubChem (CID 95197684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).