(5S,6S)-6-[(2-methoxyphenyl)methyl]-5-phenylpiperazin-2-one

C18H20N2O2 — CID 68882474

IUPAC(5S,6S)-6-[(2-methoxyphenyl)methyl]-5-phenylpiperazin-2-one
SMILESCOc1ccccc1C[C@@H]1NC(=O)CN[C@H]1c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-22-16-10-6-5-9-14(16)11-15-18(19-12-17(21)20-15)13-7-3-2-4-8-13/h2-10,15,18-19H,11-12H2,1H3,(H,20,21)/t15-,18-/m0/s1
InChIKeyCEMDGQOOAFDDDJ-YJBOKZPZSA-N
MW296.37 g/mol
LogP2.07
Rot. Bonds4

About (5S,6S)-6-[(2-methoxyphenyl)methyl]-5-phenylpiperazin-2-one

(5S,6S)-6-[(2-methoxyphenyl)methyl]-5-phenylpiperazin-2-one (PubChem CID 68882474) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (5S,6S)-6-[(2-methoxyphenyl)methyl]-5-phenylpiperazin-2-one.

Molecular Properties

Compound Name(5S,6S)-6-[(2-methoxyphenyl)methyl]-5-phenylpiperazin-2-one
PubChem CID68882474
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(5S,6S)-6-[(2-methoxyphenyl)methyl]-5-phenylpiperazin-2-one
SMILESCOc1ccccc1C[C@@H]1NC(=O)CN[C@H]1c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-22-16-10-6-5-9-14(16)11-15-18(19-12-17(21)20-15)13-7-3-2-4-8-13/h2-10,15,18-19H,11-12H2,1H3,(H,20,21)/t15-,18-/m0/s1
InChIKeyCEMDGQOOAFDDDJ-YJBOKZPZSA-N
XLogP2.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,6R)-5,6-diphenylpiperazin-2-one
CID 53393309
(2R,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 69248691
(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 11616159
N-[(2-methoxyphenyl)methyl]-3-phenyl-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 23176521
N-[(2-methoxyphenyl)methyl]-5-methylidene-2-phenylpiperidin-3-amine
CID 19012926
N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 18435769
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 67291547
(4R,5S)-5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 10705020
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrate;dihydrochloride
CID 71311950
2-[(2-methoxyphenyl)methyl]-5-oxomorpholine-3-carboxylic acid
CID 115062361
3-[(2-methoxyphenyl)methyl]oxolan-2-one
CID 12025278
3-[(2-methoxyphenyl)methyl]cyclopentan-1-one
CID 64521537

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-6-[(2-methoxyphenyl)methyl]-5-phenylpiperazin-2-one?
The IUPAC name of (5S,6S)-6-[(2-methoxyphenyl)methyl]-5-phenylpiperazin-2-one (CID 68882474) is (5S,6S)-6-[(2-methoxyphenyl)methyl]-5-phenylpiperazin-2-one.
What is the SMILES notation for (5S,6S)-6-[(2-methoxyphenyl)methyl]-5-phenylpiperazin-2-one?
The canonical SMILES for (5S,6S)-6-[(2-methoxyphenyl)methyl]-5-phenylpiperazin-2-one is COc1ccccc1C[C@@H]1NC(=O)CN[C@H]1c1ccccc1.
What is the InChIKey of (5S,6S)-6-[(2-methoxyphenyl)methyl]-5-phenylpiperazin-2-one?
The InChIKey is CEMDGQOOAFDDDJ-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-22-16-10-6-5-9-14(16)11-15-18(19-12-17(21)20-15)13-7-3-2-4-8-13/h2-10,15,18-19H,11-12H2,1H3,(H,20,21)/t15-,18-/m0/s1.
What are the key properties of (5S,6S)-6-[(2-methoxyphenyl)methyl]-5-phenylpiperazin-2-one?
(5S,6S)-6-[(2-methoxyphenyl)methyl]-5-phenylpiperazin-2-one has a molecular weight of 296.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-6-[(2-methoxyphenyl)methyl]-5-phenylpiperazin-2-one is sourced from PubChem (CID 68882474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).