4-[(2S)-2-methoxy-2-phenylacetyl]-1-(2-methylphenyl)piperazin-2-one

C20H22N2O3 — CID 96571606

IUPAC4-[(2S)-2-methoxy-2-phenylacetyl]-1-(2-methylphenyl)piperazin-2-one
SMILESCO[C@H](C(=O)N1CCN(c2ccccc2C)C(=O)C1)c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-15-8-6-7-11-17(15)22-13-12-21(14-18(22)23)20(24)19(25-2)16-9-4-3-5-10-16/h3-11,19H,12-14H2,1-2H3/t19-/m0/s1
InChIKeyQJOBWLNLNZPMTG-IBGZPJMESA-N
MW338.41 g/mol
LogP2.56
Rot. Bonds4

About 4-[(2S)-2-methoxy-2-phenylacetyl]-1-(2-methylphenyl)piperazin-2-one

4-[(2S)-2-methoxy-2-phenylacetyl]-1-(2-methylphenyl)piperazin-2-one (PubChem CID 96571606) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-[(2S)-2-methoxy-2-phenylacetyl]-1-(2-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[(2S)-2-methoxy-2-phenylacetyl]-1-(2-methylphenyl)piperazin-2-one
PubChem CID96571606
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-[(2S)-2-methoxy-2-phenylacetyl]-1-(2-methylphenyl)piperazin-2-one
SMILESCO[C@H](C(=O)N1CCN(c2ccccc2C)C(=O)C1)c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-15-8-6-7-11-17(15)22-13-12-21(14-18(22)23)20(24)19(25-2)16-9-4-3-5-10-16/h3-11,19H,12-14H2,1-2H3/t19-/m0/s1
InChIKeyQJOBWLNLNZPMTG-IBGZPJMESA-N
XLogP2.56
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-4-(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)piperazin-2-one
CID 70761405
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxy-2-phenylethanone
CID 95577530
1-(2-methylphenyl)-4-(2-phenylbenzoyl)piperazin-2-one
CID 70760494
4-[(2R)-2-(4-fluorophenyl)-2-hydroxyacetyl]-1-(2-methoxyphenyl)piperazin-2-one
CID 96576520
4-[2-(2,6-difluorophenyl)acetyl]-1-(2-methylphenyl)piperazin-2-one
CID 70746172
1-(2-methylphenyl)-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one
CID 70741081
1-(2-methylphenyl)-4-phenylpiperazin-2-one
CID 91159394
N-ethyl-4-[(2R)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide
CID 95234926
N-ethyl-4-[(2S)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide
CID 95234927
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 79030711
1-(3-hydroxypyrrolidin-1-yl)-2-methoxy-2-phenylethanone
CID 62918304

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-methoxy-2-phenylacetyl]-1-(2-methylphenyl)piperazin-2-one?
The IUPAC name of 4-[(2S)-2-methoxy-2-phenylacetyl]-1-(2-methylphenyl)piperazin-2-one (CID 96571606) is 4-[(2S)-2-methoxy-2-phenylacetyl]-1-(2-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-[(2S)-2-methoxy-2-phenylacetyl]-1-(2-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-[(2S)-2-methoxy-2-phenylacetyl]-1-(2-methylphenyl)piperazin-2-one is CO[C@H](C(=O)N1CCN(c2ccccc2C)C(=O)C1)c1ccccc1.
What is the InChIKey of 4-[(2S)-2-methoxy-2-phenylacetyl]-1-(2-methylphenyl)piperazin-2-one?
The InChIKey is QJOBWLNLNZPMTG-IBGZPJMESA-N. The full InChI is InChI=1S/C20H22N2O3/c1-15-8-6-7-11-17(15)22-13-12-21(14-18(22)23)20(24)19(25-2)16-9-4-3-5-10-16/h3-11,19H,12-14H2,1-2H3/t19-/m0/s1.
What are the key properties of 4-[(2S)-2-methoxy-2-phenylacetyl]-1-(2-methylphenyl)piperazin-2-one?
4-[(2S)-2-methoxy-2-phenylacetyl]-1-(2-methylphenyl)piperazin-2-one has a molecular weight of 338.41 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-methoxy-2-phenylacetyl]-1-(2-methylphenyl)piperazin-2-one is sourced from PubChem (CID 96571606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).