(5R)-4-[2-(1,3-benzodioxol-5-yloxy)acetyl]-5-methyl-1-phenylpiperazin-2-one

C20H20N2O5 — CID 96582385

IUPAC(5R)-4-[2-(1,3-benzodioxol-5-yloxy)acetyl]-5-methyl-1-phenylpiperazin-2-one
SMILESC[C@@H]1CN(c2ccccc2)C(=O)CN1C(=O)COc1ccc2c(c1)OCO2
InChIInChI=1S/C20H20N2O5/c1-14-10-22(15-5-3-2-4-6-15)19(23)11-21(14)20(24)12-25-16-7-8-17-18(9-16)27-13-26-17/h2-9,14H,10-13H2,1H3/t14-/m1/s1
InChIKeyQVUWGVGCDCGGAC-CQSZACIVSA-N
MW368.39 g/mol
LogP2.06
Rot. Bonds4

About (5R)-4-[2-(1,3-benzodioxol-5-yloxy)acetyl]-5-methyl-1-phenylpiperazin-2-one

(5R)-4-[2-(1,3-benzodioxol-5-yloxy)acetyl]-5-methyl-1-phenylpiperazin-2-one (PubChem CID 96582385) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is (5R)-4-[2-(1,3-benzodioxol-5-yloxy)acetyl]-5-methyl-1-phenylpiperazin-2-one.

Molecular Properties

Compound Name(5R)-4-[2-(1,3-benzodioxol-5-yloxy)acetyl]-5-methyl-1-phenylpiperazin-2-one
PubChem CID96582385
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name(5R)-4-[2-(1,3-benzodioxol-5-yloxy)acetyl]-5-methyl-1-phenylpiperazin-2-one
SMILESC[C@@H]1CN(c2ccccc2)C(=O)CN1C(=O)COc1ccc2c(c1)OCO2
InChIInChI=1S/C20H20N2O5/c1-14-10-22(15-5-3-2-4-6-15)19(23)11-21(14)20(24)12-25-16-7-8-17-18(9-16)27-13-26-17/h2-9,14H,10-13H2,1H3/t14-/m1/s1
InChIKeyQVUWGVGCDCGGAC-CQSZACIVSA-N
XLogP2.06
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-4-[2-(4-fluorophenoxy)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one
CID 96572357
(5S)-4-(1,3-benzodioxole-5-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96574586
2-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3878142
2-(1,3-benzodioxol-5-yloxy)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 17310233
(5S)-1-(4-methoxyphenyl)-5-methyl-4-(2-phenylmethoxyacetyl)piperazin-2-one
CID 96581194
2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-phenylacetamide
CID 17310206
2-(1,3-benzodioxol-5-yloxy)-1-pyrrolidin-1-ylethanone
CID 6458739
4-(1,3-benzodioxole-5-carbonyl)-3-methyl-1-phenylpiperazin-2-one
CID 24716700
4-[2-(2-hydroxyphenyl)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one
CID 70766347
2-(1,3-benzodioxol-5-yloxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone
CID 94283082
1-(4-chlorophenyl)-4-[2-(2-methoxyethoxy)acetyl]-5-methylpiperazin-2-one
CID 70755323
2-(1,3-benzodioxol-5-yloxy)-N-(2-phenylethyl)acetamide
CID 7894443

Frequently Asked Questions

What is the IUPAC name of (5R)-4-[2-(1,3-benzodioxol-5-yloxy)acetyl]-5-methyl-1-phenylpiperazin-2-one?
The IUPAC name of (5R)-4-[2-(1,3-benzodioxol-5-yloxy)acetyl]-5-methyl-1-phenylpiperazin-2-one (CID 96582385) is (5R)-4-[2-(1,3-benzodioxol-5-yloxy)acetyl]-5-methyl-1-phenylpiperazin-2-one.
What is the SMILES notation for (5R)-4-[2-(1,3-benzodioxol-5-yloxy)acetyl]-5-methyl-1-phenylpiperazin-2-one?
The canonical SMILES for (5R)-4-[2-(1,3-benzodioxol-5-yloxy)acetyl]-5-methyl-1-phenylpiperazin-2-one is C[C@@H]1CN(c2ccccc2)C(=O)CN1C(=O)COc1ccc2c(c1)OCO2.
What is the InChIKey of (5R)-4-[2-(1,3-benzodioxol-5-yloxy)acetyl]-5-methyl-1-phenylpiperazin-2-one?
The InChIKey is QVUWGVGCDCGGAC-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-14-10-22(15-5-3-2-4-6-15)19(23)11-21(14)20(24)12-25-16-7-8-17-18(9-16)27-13-26-17/h2-9,14H,10-13H2,1H3/t14-/m1/s1.
What are the key properties of (5R)-4-[2-(1,3-benzodioxol-5-yloxy)acetyl]-5-methyl-1-phenylpiperazin-2-one?
(5R)-4-[2-(1,3-benzodioxol-5-yloxy)acetyl]-5-methyl-1-phenylpiperazin-2-one has a molecular weight of 368.39 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-[2-(1,3-benzodioxol-5-yloxy)acetyl]-5-methyl-1-phenylpiperazin-2-one is sourced from PubChem (CID 96582385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).